Main Page Namespace List Class Hierarchy Alphabetical List Compound List File List Namespace Members Compound Members File Members Related Pages

VMD Plugins (current) File Members

_ | a | b | c | d | e | f | g | h | i | j | k | l | m | n | o | p | q | r | s | t | u | v | w | x

Here is a list of all file members with links to the files they belong to:

- _ -

_FILE_OFFSET_BITS : largefiles.h
_REAL : ReadPARM7.h, ReadPARM.h
_vtf_open_file_read() : vtfplugin.c

- a -

abinit_buildrotmat() : abinitplugin.c
abinit_filetype() : abinitplugin.c
abinit_header() : abinitplugin.c
abinit_header_free() : abinitplugin.c
abinit_header_malloc() : abinitplugin.c
abinit_plugindata_free() : abinitplugin.c
abinit_plugindata_malloc() : abinitplugin.c
abinit_readline() : abinitplugin.c
abinitplugin : abinitplugin.c
add_comment() : ply.c
add_element() : ply.c
add_obj_info() : ply.c
add_property() : ply.c
add_wavefunction() : qmplugin.h
addAtoms() : pdbxplugin.C
addCoordinates() : pdbxplugin.C
addstring() : hoomdplugin.c
adjust_bgf_field_string() : bgfplugin.C
adjust_pdb_field_string() : readpdb.h
adjust_xbgf_field_string() : xbgfplugin.C
AIDLOOP : vtfplugin.c
alloc_aligned_ptr() : jsplugin.c
ALLOCATE : qcschemaplugin.c, moldenplugin.c
alos() : hash.c
alos_int() : inthash.c
amira_check_trimesh() : amiraplugin.C
amira_readvar_float() : amiraplugin.C
amira_readvar_int() : amiraplugin.C
analyze_traj() : orcaplugin.C, gamessplugin.c
ANGS2_PER_NM2 : Gromacs.h
ANGS_PER_NM : Gromacs.h
ANGS_TO_BOHR : unit_conversion.h
ANGSTROM : orcaplugin.C, gamessplugin.c, basissetplugin.c
angular_momentum_expon() : qmplugin.h
append_comment_ply() : ply.h, ply.c
append_obj_info_ply() : ply.h, ply.c
append_prop_rule() : ply.h, ply.c
ASCII : avsplugin.C
ascii_get_element() : ply.c
asize : tprplugin.h
atoifw() : psfplugin.c
ATOM_CHAIN : pdbxplugin.C
ATOM_INSERTION : pdbxplugin.C
atom_name_remove_underscores() : netcdfplugin.c
atom_name_replace() : netcdfplugin.c
ATOM_RESNAME : pdbxplugin.C
ATOM_TYPE : pdbxplugin.C
atomSiteHeader : pdbxplugin.C
AVERAGE_RULE : ply.h
AVSFLOAT : avsplugin.C

- b -

babel16filetypenames : babelplugin.c
babel16filetypes : babelplugin.c
babel16type_from_name() : babelplugin.c
BABEL_TMPDIR : babelplugin.c
big_endian : abinitplugin.c
BIG_STRING : ply.c
BINARY : avsplugin.C
binary_get_element() : ply.c
binread() : abinitplugin.c
BLOCK : namdbinplugin.c
BOHR : orcaplugin.C, gamessplugin.c, basissetplugin.c
bohr : cubeplugin.C
BOHR_TO_ANGS : unit_conversion.h
BOND_CHAIN_1 : pdbxplugin.C
BOND_CHAIN_2 : pdbxplugin.C
BOND_JUNK : pdbxplugin.C
BOND_NAME_1 : pdbxplugin.C
BOND_NAME_2 : pdbxplugin.C
BOND_RESID_1 : pdbxplugin.C
BOND_RESID_2 : pdbxplugin.C
BOND_RESNAME_1 : pdbxplugin.C
BOND_RESNAME_2 : pdbxplugin.C
BUFFER_SIZE : pdbxplugin.C
BUFFLEN : offplugin.C
BUFSZ : amiraplugin.C

- c -

calcNormals() : offplugin.C
cat : vmdplugin.h
CCP4HDSIZE : ccp4plugin.C
CDF_ERR : netcdfplugin.c
CDF_SUCCESS : netcdfplugin.c
CDF_TYPE_AMBER : netcdfplugin.c
CDF_TYPE_MMTK : netcdfplugin.c
CDF_TYPE_UNKNOWN : netcdfplugin.c
cfiletype : main.c
CHAIN_SIZE : pdbxplugin.C
charToNum : pdbxplugin.C
check_add_wavefunctions() : orcaplugin.C, gamessplugin.c
CHECK_FEOF : dcdplugin.c
CHECK_FREAD : dcdplugin.c
CI_ALDET : qmplugin.h
CI_CIS : qmplugin.h
CI_FSOCI : qmplugin.h
CI_GENCI : qmplugin.h
CI_GUGA : qmplugin.h
CI_NONE : qmplugin.h
CI_ORMAS : qmplugin.h
CI_UNKNOWN : qmplugin.h
ClinComb2() : graspplugin.C
close() : pdbxplugin.C
close_avsfield_read() : avsplugin.C
close_basis_read() : basissetplugin.c
close_bgf_read() : bgfplugin.C
close_bgf_write() : bgfplugin.C
close_biomocca_read() : biomoccaplugin.C
close_brix_read() : brixplugin.C
close_car_read() : carplugin.c
close_ccp4_read() : ccp4plugin.C
close_cdf_read() : netcdfplugin.c
close_cor_read() : corplugin.c
close_cpmd_read() : cpmdplugin.c
close_cpmdlog_read() : cpmdlogplugin.c
close_crd_read() : crdplugin.c
close_crd_write() : crdplugin.c
close_cube_read() : cubeplugin.C
close_dcd_read() : dcdplugin.c
close_dlpoly_read() : dlpolyplugin.c
close_dsn6_read() : dsn6plugin.C
close_dx_read() : dxplugin.C
close_dx_write() : dxplugin.C
close_edm_read() : edmplugin.C
close_edm_write() : edmplugin.C
close_file_read() : stlplugin.C, raster3dplugin.C, plyplugin.C, offplugin.C, namdbinplugin.c, msmsplugin.C, molemeshplugin.C, graspplugin.C, dcdplugin.c, binposplugin.c, amiraplugin.C, abinitplugin.c
close_file_write() : pdbxplugin.C, pdbplugin.c, namdbinplugin.c, dcdplugin.c, binposplugin.c, abinitplugin.c
close_fs4_read() : fs4plugin.C
close_g96_read() : gromacsplugin.C
close_gamess_read() : gamessplugin.c
close_gaussian_read() : gaussianplugin.c
close_grd_read() : grdplugin.C
close_grid_read() : gridplugin.C
close_gro_read() : gromacsplugin.C
close_gro_write() : gromacsplugin.C
close_hoomd_read() : hoomdplugin.c
close_hoomd_write() : hoomdplugin.c
close_js_read() : jsplugin.c
close_js_write() : jsplugin.c
close_lammps_read() : lammpsplugin.c
close_lammps_write() : lammpsplugin.c
close_lammpsyaml_read() : lammpsyamlplugin.c
close_lammpsyaml_write() : lammpsyamlplugin.c
close_map_read() : mapplugin.C
close_mdf_read() : mdfplugin.C
close_mmcif_read() : mmcif.C
close_mol2_read() : mol2plugin.C
close_mol2_write() : mol2plugin.C
close_molden_read() : moldenplugin.c
close_orca_read() : orcaplugin.C
close_parm7_file() : ReadPARM7.h
close_parm7_read() : parm7plugin.C
close_parm_read() : parmplugin.C
close_pbeq_read() : pbeqplugin.C
close_pdb_read() : webpdbplugin.c, pdbplugin.c, babelplugin.c
close_pdbx_read() : pdbxplugin.C
close_phi_read() : phiplugin.C
close_plt_read() : pltplugin.C
close_ply() : ply.h, ply.c
close_pqr_read() : pqrplugin.c
close_pqr_write() : pqrplugin.c
close_psf_read() : psfplugin.c
close_psf_write() : psfplugin.c
close_qcschema_read() : qcschemaplugin.c
close_read() : lmplugin.C
close_rst_read() : rst7plugin.c
close_rst_write() : rst7plugin.c
close_situs_read() : situsplugin.C
close_situs_write() : situsplugin.C
close_spider_read() : spiderplugin.C
close_tinker_read() : tinkerplugin.c
close_tng() : tngplugin.C
close_tpr_read() : tprplugin.C
close_trr_read() : gromacsplugin.C
close_trr_write() : gromacsplugin.C
close_uhbd_read() : uhbdplugin.C
close_vasp5xdatcar_read() : vasp5xdatcarplugin.c
close_vaspchgcar_read() : vaspchgcarplugin.c
close_vaspoutcar_read() : vaspoutcarplugin.c
close_vaspparchg_read() : vaspparchgplugin.c
close_vaspposcar_read() : vaspposcarplugin.c
close_vaspposcar_write() : vaspposcarplugin.c
close_vaspxdatcar_read() : vaspxdatcarplugin.c
close_vaspxml_read() : vaspxmlplugin.c
close_vtk_read() : vtkplugin.C
close_xbgf_read() : xbgfplugin.C
close_xbgf_write() : xbgfplugin.C
close_xsf_read() : xsfplugin.C
close_xyz_read() : xyzplugin.c
close_xyz_write() : xyzplugin.c
CoeffRowBlock : orcaplugin.C
COLOUR : graspplugin.C
COLUMN_BFACTOR : pdbxplugin.C
COLUMN_BUFFER_SIZE : pdbxplugin.C
COLUMN_CHAIN : pdbxplugin.C
COLUMN_CHAIN_AUTH : pdbxplugin.C
COLUMN_CHARGE : pdbxplugin.C
COLUMN_INSERTION : pdbxplugin.C
COLUMN_JUNK : pdbxplugin.C
COLUMN_MODEL_NUM : pdbxplugin.C
COLUMN_NAME : pdbxplugin.C
COLUMN_NUMBER : pdbxplugin.C
COLUMN_OCCUPANCY : pdbxplugin.C
COLUMN_RESID : pdbxplugin.C
COLUMN_RESID_AUTH : pdbxplugin.C
COLUMN_RESNAME : pdbxplugin.C
COLUMN_TYPE : pdbxplugin.C
COLUMN_TYPE_AUTH : pdbxplugin.C
COLUMN_X : pdbxplugin.C
COLUMN_Y : pdbxplugin.C
COLUMN_Z : pdbxplugin.C
convD : orcaplugin.C
convert_tng_box_shape_to_vmd() : tngplugin.C
convert_to_float() : tngplugin.C
convert_vmd_box_for_writing() : gromacsplugin.C
convert_vmd_box_shape_to_tng() : tngplugin.C
convertPure() : orcaplugin.C
convF : orcaplugin.C
copy_comments_ply() : ply.h, ply.c
copy_obj_info_ply() : ply.h, ply.c
copy_property() : ply.c
COR_RECORD_LENGTH : corplugin.c
corgets() : corplugin.c
cosangle2deg() : lammpsyamlplugin.c, lammpsplugin.c
count_mdf_bonds() : mdfplugin.C
count_orbitals() : qcschemaplugin.c, moldenplugin.c
cplugin : main.c
CPMDLOG_BASIS_DEBUG : cpmdlogplugin.c
CPMDLOG_DEBUG : cpmdlogplugin.c
crdboxplugin : crdplugin.c
create_pdbxParser() : pdbxplugin.C
create_pdbxWriter() : pdbxplugin.C
cube_buildrotmat() : cubeplugin.C
cube_readbox() : cubeplugin.C
CURVATURES : graspplugin.C

- d -

D_SHELL : qmplugin.h, gaussianplugin.c, cpmdlogplugin.c, basissetplugin.c
dAngMom : orcaplugin.C
DATA_FLAG_IMOD_FORMAT : ccp4plugin.C
DATA_FLAG_SIGNED : ccp4plugin.C
data_start() : lammpsyamlplugin.c
DBGPRINT : abinitplugin.c
DBLFMT : ReadPARM7.h, ReadPARM.h
DCD_BADEOF : dcdplugin.c
DCD_BADFORMAT : dcdplugin.c
DCD_BADMALLOC : dcdplugin.c
DCD_BADREAD : dcdplugin.c
DCD_BADWRITE : dcdplugin.c
DCD_DNE : dcdplugin.c
DCD_EOF : dcdplugin.c
DCD_FILEEXISTS : dcdplugin.c
DCD_HAS_4DIMS : dcdplugin.c
DCD_HAS_64BIT_REC : dcdplugin.c
DCD_HAS_EXTRA_BLOCK : dcdplugin.c
DCD_IS_CHARMM : dcdplugin.c
DCD_IS_XPLOR : dcdplugin.c
DCD_OPENFAILED : dcdplugin.c
DCD_SUCCESS : dcdplugin.c
DEBUGGING_ORCA : orcaplugin.C
default_alloc() : qcschema_json.c
default_atom : vtfplugin.c
default_free() : qcschema_json.c
default_userdata : vtfplugin.c
DEGTORAD : qmplugin.h
del_wavefunction() : qmplugin.h
delete_all() : babelplugin.c
delete_pdbxParser() : pdbxplugin.C
DEN_POT_WFK_open_file_read() : abinitplugin.c
DEN_POT_WFK_read_next_timestep() : abinitplugin.c
DEN_POT_WFK_read_structure() : abinitplugin.c
DEN_read_volumetric_data() : abinitplugin.c
DEN_read_volumetric_metadata() : abinitplugin.c
describe_element_ply() : ply.h, ply.c
describe_other_elements_ply() : ply.h, ply.c
describe_other_properties_ply() : ply.h, ply.c
describe_property_ply() : ply.h, ply.c
DISTANCES : graspplugin.C
dlpoly2plugin : dlpolyplugin.c
dlpoly3plugin : dlpolyplugin.c
dlpolypluginconfig : dlpolyplugin.c
DONT_STORE_PROP : ply.c
dshell : orcaplugin.C
dxgets() : dxplugin.C
dxplugin : dxplugin.C

- e -

eatline() : xsfplugin.C, qmplugin.h, edmplugin.C
eatwhitelines() : qmplugin.h
edm_voxel_value_interpolate() : edmplugin.C
edm_voxel_value_interpolate_from_coord() : edmplugin.C
edm_voxel_value_safe() : edmplugin.C
egcACC : tprplugin.h
egcCompressedX : tprplugin.h
egcENER : tprplugin.h
egcFREEZE : tprplugin.h
egcNR : tprplugin.h
egcORFIT : tprplugin.h
egcQMMM : tprplugin.h
egcTC : tprplugin.h
egcUser1 : tprplugin.h
egcUser2 : tprplugin.h
egcVCM : tprplugin.h
element_count_ply() : ply.h, ply.c
element_layout_ply() : ply.h, ply.c
elements : basissetplugin.c
ENABLEJSSHORTREADS : jsplugin.c
Endianness : abinitplugin.c
EndType : ply.h
equal_strings() : ply.h, ply.c

- f -

F_ANGLES : tprplugin.h
F_ANGRES : tprplugin.h
F_ANGRESZ : tprplugin.h
F_ANHARM_POL : tprplugin.h
F_BHAM : tprplugin.h
F_BHAM_LR : tprplugin.h
F_BONDS : tprplugin.h
F_CBTDIHS : tprplugin.h
F_CMAP : tprplugin.h
F_COM_PULL : tprplugin.h
F_CONNBONDS : tprplugin.h
F_CONSTR : tprplugin.h
F_CONSTRNC : tprplugin.h
F_COUL14 : tprplugin.h
F_COUL_LR : tprplugin.h
F_COUL_RECIP : tprplugin.h
F_COUL_SR : tprplugin.h
F_CROSS_BOND_ANGLES : tprplugin.h
F_CROSS_BOND_BONDS : tprplugin.h
F_CUBICBONDS : tprplugin.h
F_DENSITYFITTING : tprplugin.h
F_DIHRES : tprplugin.h
F_DIHRESVIOL : tprplugin.h
F_DISPCORR : tprplugin.h
F_DISRES : tprplugin.h
F_DISRESVIOL : tprplugin.h
F_DKDL : tprplugin.h
F_DPD : tprplugin.h
F_DVDL : tprplugin.h
F_DVDL_BONDED : tprplugin.h
F_DVDL_CONSTR : tprplugin.h
F_DVDL_COUL : tprplugin.h
F_DVDL_RESTRAINT : tprplugin.h
F_DVDL_TEMPERATURE : tprplugin.h
F_DVDL_VDW : tprplugin.h
F_ECONSERVED : tprplugin.h
F_EKIN : tprplugin.h
F_EPOT : tprplugin.h
F_EQM : tprplugin.h
F_ETOT : tprplugin.h
F_FBPOSRES : tprplugin.h
F_FENEBONDS : tprplugin.h
F_FOURDIHS : tprplugin.h
F_G96ANGLES : tprplugin.h
F_G96BONDS : tprplugin.h
F_GB12 : tprplugin.h
F_GB13 : tprplugin.h
F_GB14 : tprplugin.h
F_GBPOL : tprplugin.h
F_HARMONIC : tprplugin.h
F_IDIHS : tprplugin.h
F_LINEAR_ANGLES : tprplugin.h
F_LJ : tprplugin.h
F_LJ14 : tprplugin.h
F_LJ_LR : tprplugin.h
F_LJ_RECIP : tprplugin.h
F_LJC14_Q : tprplugin.h
F_LJC_PAIRS_NB : tprplugin.h
F_MORSE : tprplugin.h
F_NPSOLVATION : tprplugin.h
F_NRE : tprplugin.h
F_ORIRES : tprplugin.h
F_ORIRESDEV : tprplugin.h
F_PDIHS : tprplugin.h
F_PDISPCORR : tprplugin.h
F_PIDIHS : tprplugin.h
F_POLARIZATION : tprplugin.h
F_POSRES : tprplugin.h
F_PRES : tprplugin.h
F_QUARTIC_ANGLES : tprplugin.h
F_RBDIHS : tprplugin.h
F_RESTRANGLES : tprplugin.h
F_RESTRBONDS : tprplugin.h
F_RESTRDIHS : tprplugin.h
F_RF_EXCL : tprplugin.h
F_SETTLE : tprplugin.h
F_SHELL : qmplugin.h, gaussianplugin.c, cpmdlogplugin.c, basissetplugin.c
F_TABANGLES : tprplugin.h
F_TABBONDS : tprplugin.h
F_TABBONDSNC : tprplugin.h
F_TABDIHS : tprplugin.h
F_TEMP : tprplugin.h
F_THOLE_POL : tprplugin.h
F_UREY_BRADLEY : tprplugin.h
F_VSITE1 : tprplugin.h
F_VSITE2 : tprplugin.h
F_VSITE2FD : tprplugin.h
F_VSITE3 : tprplugin.h
F_VSITE3FAD : tprplugin.h
F_VSITE3FD : tprplugin.h
F_VSITE3OUT : tprplugin.h
F_VSITE4FD : tprplugin.h
F_VSITE4FDN : tprplugin.h
F_VSITEN : tprplugin.h
F_VTEMP : tprplugin.h
F_WATER_POL : tprplugin.h
Face : plyplugin.C
face_props : plyplugin.C
FALSE : tprplugin.C, qmplugin.h, gaussianplugin.h
fAngMom : orcaplugin.C
file() : babelplugin.c
FileDesc : lammpsyamlplugin.c, lammpsplugin.c
fill_basis_arrays() : qcschemaplugin.c, orcaplugin.C, moldenplugin.c, gaussianplugin.c, gamessplugin.c, cpmdlogplugin.c, basissetplugin.c
find_closing_bracket() : netcdfplugin.c
find_data_offset() : amiraplugin.C
find_element() : ply.c
find_item_keyword() : lammpsyamlplugin.c, lammpsplugin.c
find_next_item() : lammpsyamlplugin.c, lammpsplugin.c
find_property() : ply.c
find_traj_end() : gaussianplugin.c, cpmdlogplugin.c
fio_caddr_t : fastio.h
FIO_DIRECT : fastio.h
fio_fclose() : fastio.h
fio_fd : fastio.h
fio_fread() : fastio.h
fio_fseek() : fastio.h
fio_ftell() : fastio.h
fio_fwrite() : fastio.h
fio_open() : fastio.h
FIO_READ : fastio.h
fio_read_int32() : fastio.h
fio_readv() : fastio.h
FIO_SEEK_CUR : fastio.h
FIO_SEEK_END : fastio.h
FIO_SEEK_SET : fastio.h
fio_size_t : fastio.h
FIO_WRITE : fastio.h
fio_write_int32() : fastio.h
fio_write_str() : fastio.h
FIREFLY8POST6695 : gamessplugin.c
FIREFLY8PRE6695 : gamessplugin.c
FIRSTIDX : Gromacs.h
fix_fortran_exp() : gaussianplugin.c, cpmdlogplugin.c
FLAG_BFACTOR : pdbxplugin.C
flag_block_comment : qcschema_json.c
FLAG_CHAIN_LENGTH : pdbxplugin.C
FLAG_CHARGE : pdbxplugin.C
flag_done : qcschema_json.c
flag_escaped : qcschema_json.c
FLAG_INSERTION : pdbxplugin.C
flag_line_comment : qcschema_json.c
FLAG_MODEL_NUM : pdbxplugin.C
flag_need_colon : qcschema_json.c
flag_need_comma : qcschema_json.c
flag_next : qcschema_json.c
flag_num_e : qcschema_json.c
flag_num_e_got_sign : qcschema_json.c
flag_num_e_negative : qcschema_json.c
flag_num_got_decimal : qcschema_json.c
flag_num_negative : qcschema_json.c
flag_num_zero : qcschema_json.c
FLAG_OCCUPANCY : pdbxplugin.C
flag_reproc : qcschema_json.c
flag_seek_value : qcschema_json.c
flag_string : qcschema_json.c
Float32 : ply.h
Float64 : ply.h
fort_eat_recmark() : fortread.h
fort_get_endian_reclen() : fortread.h
FORT_RECLEN_32BIT : fortread.h
FORT_RECLEN_64BIT : fortread.h
fortread_4() : fortread.h
FOUND : orcaplugin.C, gamessplugin.c, basissetplugin.c
fpexpftoc() : qmplugin.h
free_other_elements_ply() : ply.h, ply.c
free_ply() : ply.h, ply.c
fshell : orcaplugin.C
ftupd : tprplugin.h

- g -

g96_countatoms() : Gromacs.h
g96_header() : Gromacs.h
g96_plugin : gromacsplugin.C
g96_rec() : Gromacs.h
g96_timestep() : Gromacs.h
G_SHELL : qmplugin.h, gaussianplugin.c, cpmdlogplugin.c, basissetplugin.c
GAMESSPOST20050627 : gamessplugin.c
GAMESSPRE20050627 : gamessplugin.c
GAMESSUNKNOWN : gamessplugin.c
GAUSSIAN_BASIS_DEBUG : gaussianplugin.c
GAUSSIAN_DEBUG : gaussianplugin.c
GEO_open_file_read() : abinitplugin.c
GEO_read_next_timestep() : abinitplugin.c
GEO_read_structure() : abinitplugin.c
get_ascii_item() : ply.c
get_atom_radius() : pqrplugin.c
get_basis() : qcschemaplugin.c, orcaplugin.C, moldenplugin.c, gaussianplugin.c, gamessplugin.c, basissetplugin.c
get_basis_options() : gaussianplugin.c, gamessplugin.c
get_basis_stats() : gamessplugin.c
get_bgf_coordinates() : bgfplugin.C
get_bgf_fields() : bgfplugin.C
get_binary_item() : ply.c
get_cart_hessian() : gamessplugin.c
get_comments_ply() : ply.h, ply.c
get_contrl() : gaussianplugin.c, gamessplugin.c
get_contrl_firefly() : gamessplugin.c
get_coordinates() : orcaplugin.C, gaussianplugin.c, gamessplugin.c
get_cor_atom() : corplugin.c
get_element_description_ply() : ply.h, ply.c
get_element_list_ply() : ply.h, ply.c
get_element_ply() : ply.h, ply.c
get_element_setup_ply() : ply.h, ply.c
get_esp_charges() : gamessplugin.c
get_final_gradient() : gamessplugin.c
get_final_info() : gaussianplugin.c, cpmdlogplugin.c
get_final_properties() : gamessplugin.c
get_fmoxyz() : gamessplugin.c
get_gradient() : gamessplugin.c
get_guess_options() : gamessplugin.c
get_info_ply() : ply.h, ply.c
get_input_structure() : orcaplugin.C, gaussianplugin.c, gamessplugin.c
get_int_coordinates() : gaussianplugin.c
get_int_coords() : gamessplugin.c
get_int_hessian() : gamessplugin.c
get_internal_basis() : gaussianplugin.c, cpmdlogplugin.c
get_item_value() : ply.c
get_job_info() : orcaplugin.C
GET_LINE : qcschemaplugin.c, orcaplugin.C, moldenplugin.c, gaussianplugin.c, gamessplugin.c, cpmdlogplugin.c, basissetplugin.c
get_line() : raster3dplugin.C
get_mcscf() : gamessplugin.c
get_mdf_bonds() : mdfplugin.C
get_new_props_ply() : ply.h, ply.c
get_next_noncomment_line() : amiraplugin.C
get_normal_modes() : gamessplugin.c
get_obj_info_ply() : ply.h, ply.c
get_other_element_ply() : ply.h, ply.c
get_other_properties() : ply.c
get_other_properties_ply() : ply.h, ply.c
get_pdb_conect() : readpdb.h
get_pdb_coordinates() : readpdb.h
get_pdb_cryst1() : readpdb.h
get_pdb_fields() : readpdb.h
get_pdb_header() : readpdb.h
get_population() : orcaplugin.C, gaussianplugin.c, gamessplugin.c, cpmdlogplugin.c
get_pqr_coordinates() : pqrplugin.c
get_pqr_cryst1() : pqrplugin.c
get_pqr_fields() : pqrplugin.c
get_proc_mem() : gaussianplugin.c, gamessplugin.c
get_prop_type() : ply.c
get_properties_input() : gamessplugin.c
Get_Property_Values() : graspplugin.C
get_psf_atom() : psfplugin.c
get_pte_idx() : periodic_table.h
get_pte_idx_from_string() : periodic_table.h
get_pte_label() : periodic_table.h
get_pte_mass() : periodic_table.h
get_pte_vdw_radius() : periodic_table.h
get_runtitle() : gaussianplugin.c, gamessplugin.c
get_scfdata() : orcaplugin.C, gamessplugin.c
get_stored_item() : ply.c
get_string() : avsplugin.C
get_symmetry() : gamessplugin.c
get_traj_frame() : orcaplugin.C, gaussianplugin.c, gamessplugin.c, cpmdlogplugin.c
get_wavefunction() : orcaplugin.C, gaussianplugin.c, gamessplugin.c, cpmdlogplugin.c
get_words() : ply.c
get_xbgf_coordinates() : xbgfplugin.C
get_xbgf_fields() : xbgfplugin.C
getatomfield() : bgfplugin.C
getNextWord() : pdbxplugin.C
getUniqueResID() : pdbxplugin.C
GLOBALCOLOR : graspplugin.C
goto_keyline() : qmplugin.h
gro_header() : Gromacs.h
gro_plugin : gromacsplugin.C
gro_rec() : Gromacs.h
gro_timestep() : Gromacs.h
GROMACS_PLUGIN_MAJOR_VERSION : gromacsplugin.C
GROMACS_PLUGIN_MINOR_VERSION : gromacsplugin.C

- h -

H5_CALL : lmplugin.C
H5_CALL_ASSIGN : lmplugin.C
H_SHELL : qmplugin.h, gaussianplugin.c, cpmdlogplugin.c, basissetplugin.c
HARTREE_TO_EV : unit_conversion.h
HARTREE_TO_KCAL : unit_conversion.h
hash() : hash.c
hash_delete() : hash.h, hash.c
hash_destroy() : hash.h, hash.c
hash_entries() : hash.h, hash.c
HASH_FAIL : inthash.h, hash.h
hash_init() : hash.h, hash.c
hash_insert() : hash.h, hash.c
HASH_LIMIT : inthash.c, hash.c
hash_lookup() : hash.h, hash.c
hash_node_t : hash.c
hash_stats() : hash.h, hash.c
hash_t : hash.h
have_cpmd() : cpmdlogplugin.c
have_gamess() : gamessplugin.c
have_gaussian() : gaussianplugin.c
have_keyline() : qmplugin.h
have_orca() : orcaplugin.C
header_complete_ply() : ply.h, ply.c
hex_value() : qcschema_json.c
HOOMD_ACCEL : hoomdplugin.c
HOOMD_ANGLE : hoomdplugin.c
HOOMD_BODY : hoomdplugin.c
HOOMD_BOND : hoomdplugin.c
HOOMD_BOX : hoomdplugin.c
HOOMD_CHARGE : hoomdplugin.c
HOOMD_CONFIG : hoomdplugin.c
HOOMD_CONV_POS : hoomdplugin.c
HOOMD_COORD : hoomdplugin.c
HOOMD_DEBUG : hoomdplugin.c
HOOMD_DIAMETER : hoomdplugin.c
HOOMD_DIHEDRAL : hoomdplugin.c
HOOMD_FORMAT_MAJV : hoomdplugin.c
HOOMD_FORMAT_MINV : hoomdplugin.c
HOOMD_IMAGE : hoomdplugin.c
HOOMD_IMPROPER : hoomdplugin.c
HOOMD_MASS : hoomdplugin.c
HOOMD_MAXDEPTH : hoomdplugin.c
HOOMD_NONE : hoomdplugin.c
HOOMD_NUMTAGS : hoomdplugin.c
HOOMD_ORIENT : hoomdplugin.c
hoomd_parse_line() : hoomdplugin.c
HOOMD_POS : hoomdplugin.c
hoomd_tag_name : hoomdplugin.c
HOOMD_TYPE : hoomdplugin.c
HOOMD_UNKNOWN : hoomdplugin.c
HOOMD_VEL : hoomdplugin.c
HOOMD_WALL : hoomdplugin.c
HOOMD_XML : hoomdplugin.c
host_is_little_endian() : Gromacs.h

- i -

I_SHELL : qmplugin.h, gaussianplugin.c, cpmdlogplugin.c
id_merge() : lammpsyamlplugin.c, lammpsplugin.c
id_sort() : lammpsyamlplugin.c, lammpsplugin.c
identity() : qmplugin.h
IMOD_FILE_ID : ccp4plugin.C
IMOD_FLAG_HEADER_SPACING : ccp4plugin.C
IMOD_FLAG_ORIGIN_INVERTED_SIGN : ccp4plugin.C
IMOD_FLAG_SIGNED : ccp4plugin.C
IMOD_MAGIC_STAMP : ccp4plugin.C
IMPORT_GRAPHICS_LINE_DASHED : import_graphics_plugin.h
IMPORT_GRAPHICS_LINE_SOLID : import_graphics_plugin.h
import_graphics_linestyle_t : import_graphics_plugin.h
IMPORT_GRAPHICS_PLUGIN_TYPE : import_graphics_plugin.h
increment_filename() : abinitplugin.c
INFOMSGS : jsplugin.c
init_qmdata() : qmplugin.h
init_rule_ply() : ply.h, ply.c
initCharToNum() : pdbxplugin.C
Int16 : ply.h
Int32 : ply.h
Int8 : ply.h
inthash() : inthash.c
inthash_delete() : inthash.h, inthash.c
inthash_destroy() : inthash.h, inthash.c
inthash_entries() : inthash.h, inthash.c
inthash_init() : inthash.h, inthash.c
inthash_insert() : inthash.h, inthash.c
inthash_lookup() : inthash.h, inthash.c
inthash_node_t : inthash.c
inthash_stats() : inthash.h, inthash.c
inthash_t : inthash.h
IRREGULAR : avsplugin.C
is_little_endian() : graspplugin.C
isAtomSite() : pdbxplugin.C
isPDB_DevFile() : pdbxplugin.C
isStructureDataHeader() : pdbxplugin.C
isValidateRMSDBond() : pdbxplugin.C
iswhiteline() : qmplugin.h

- j -

js_blockio_check_and_set() : jsplugin.c
js_calc_timestep_blocking_info() : jsplugin.c
JSBADFILE : jsplugin.c
JSBADFORMAT : jsplugin.c
JSBLOCKIO_THRESH : jsplugin.c
JSENDIANISM : jsplugin.c
JSHEADERSTRING : jsplugin.c
JSMAGICNUMBER : jsplugin.c
JSMAJORVERSION : jsplugin.c
JSMINORVERSION : jsplugin.c
JSNFRAMESOFFSET : jsplugin.c
JSNOERR : jsplugin.c
json_alloc() : qcschema_json.c
json_array : qcschema_json.h
json_boolean : qcschema_json.h
json_char : qcschema_json.h
json_double : qcschema_json.h
json_enable_comments : qcschema_json.h
json_error_max : qcschema_json.h
JSON_INT_MAX : qcschema_json.c
json_int_t : qcschema_json.h
json_integer : qcschema_json.h
json_none : qcschema_json.h
json_null : qcschema_json.h
json_object : qcschema_json.h
json_object_entry : qcschema_json.h
json_parse() : qcschema_json.h, qcschema_json.c
json_parse_ex() : qcschema_json.h, qcschema_json.c
json_string : qcschema_json.h
json_type : qcschema_json.h
json_uchar : qcschema_json.c
json_value : qcschema_json.h
json_value_free() : qcschema_json.h, qcschema_json.c
json_value_free_ex() : qcschema_json.h, qcschema_json.c
json_value_none : qcschema_json.h, qcschema_json.c
JSOPT_ANGLES : jsplugin.c
JSOPT_ATOMICNUMBER : jsplugin.c
JSOPT_BFACTOR : jsplugin.c
JSOPT_BONDORDERS : jsplugin.c
JSOPT_BONDS : jsplugin.c
JSOPT_CHARGE : jsplugin.c
JSOPT_CTERMS : jsplugin.c
JSOPT_MASS : jsplugin.c
JSOPT_NOOPTIONS : jsplugin.c
JSOPT_OCCUPANCY : jsplugin.c
JSOPT_RADIUS : jsplugin.c
JSOPT_STRUCTURE : jsplugin.c
JSOPT_TS_BLOCKIO : jsplugin.c

- k -

KEY_ATOMS : lammpsyamlplugin.c, lammpsplugin.c
KEY_BOUND : lammpsyamlplugin.c
KEY_BOX : lammpsyamlplugin.c, lammpsplugin.c
KEY_DATA : lammpsyamlplugin.c, lammpsplugin.c
KEY_IDENT : lammpsyamlplugin.c
KEY_PROPS : lammpsyamlplugin.c
KEY_TIME : lammpsyamlplugin.c, lammpsplugin.c
KEY_TSTEP : lammpsyamlplugin.c, lammpsplugin.c
kw : xsfplugin.C

- l -

l_attr_t : lammpsyamlplugin.c, lammpsplugin.c
lammps_attribute : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_COORD_DIPOLE : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_COORD_FORCES : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_COORD_IMAGES : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_COORD_NONE : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_COORD_SCALED : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_COORD_TRICLINIC : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_COORD_UNKNOWN : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_COORD_UNWRAPPED : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_COORD_VELOCITIES : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_COORD_WRAPPED : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_DEBUG : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_ATOMID : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_CHARGE : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_DIAMETER : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_ELEMENT : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_FORX : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_FORY : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_FORZ : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_IMGX : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_IMGY : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_IMGZ : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_MASS : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_MOLID : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_MUX : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_MUY : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_MUZ : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_POSX : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_POSXS : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_POSXSU : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_POSXU : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_POSY : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_POSYS : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_POSYSU : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_POSYU : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_POSZ : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_POSZS : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_POSZSU : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_POSZU : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_QUATI : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_QUATJ : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_QUATK : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_QUATW : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_RADIUS : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_TYPE : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_UNKNOWN : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_USER0 : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_USER1 : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_USER2 : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_USER3 : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_USER4 : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_USER5 : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_USER6 : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_USER7 : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_USER8 : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_VELX : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_VELY : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FIELD_VELZ : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_FILED_USER9 : lammpsyamlplugin.c, lammpsplugin.c
LAMMPS_MAX_NUM_FIELDS : lammpsyamlplugin.c, lammpsplugin.c
LASTIDX : Gromacs.h
line3() : graspplugin.C
line_and_col : qcschema_json.c
LINE_LEN : lammpsyamlplugin.c, lammpsplugin.c
LINESIZE : xbgfplugin.C, vtkplugin.C, vaspplugin.h, uhbdplugin.C, spiderplugin.C, phiplugin.C, msmsplugin.C, mol2plugin.C, mdfplugin.C, mapplugin.C, dxplugin.C, carplugin.c, bgfplugin.C, avsplugin.C, abinitplugin.c
little_endian : abinitplugin.c
lookup_keyword() : xsfplugin.C

- m -

M_PI : vaspplugin.h, gromacsplugin.C, fs4plugin.C, dsn6plugin.C, ccp4plugin.C, brixplugin.C, abinitplugin.c
M_PI_2 : xsfplugin.C, tngplugin.C, lammpsyamlplugin.c, lammpsplugin.c, jsplugin.c, Gromacs.h, dlpolyplugin.c, dcdplugin.c, cubeplugin.C
main() : main.c
MAJORITY_RULE : ply.h
make_lower() : hoomdplugin.c
mapgets() : mapplugin.C
matches_rule_name() : ply.h, ply.c
MAX : situsplugin.C, lammpsyamlplugin.c, lammpsplugin.c
MAX_COLUMNS : pdbxplugin.C
MAX_G96_LINE : Gromacs.h
MAX_GRO_LINE : Gromacs.h
MAX_LMPEXC_MSG : lmplugin.C
MAX_MDIO_TITLE : Gromacs.h
MAX_NUM_WAVE : gaussianplugin.h
MAX_OPTIONAL_AUTH_FIELDS : pdbxplugin.C
MAX_TRX_TITLE : Gromacs.h
MAX_VMD_NAME : lmplugin.C
MAXATOMTYPES : vaspplugin.h
MAXBONDS : xbgfplugin.C
MAXIMUM_RULE : ply.h
MDFMT_G96 : Gromacs.h
MDFMT_GRO : Gromacs.h
MDFMT_TRJ : Gromacs.h
MDFMT_TRR : Gromacs.h
MDFMT_XTC : Gromacs.h
MDIO_BADEXTENSION : Gromacs.h
MDIO_BADFORMAT : Gromacs.h
MDIO_BADMALLOC : Gromacs.h
MDIO_BADPARAMS : Gromacs.h
MDIO_BADPRECISION : Gromacs.h
MDIO_CANTCLOSE : Gromacs.h
MDIO_CANTOPEN : Gromacs.h
mdio_close() : Gromacs.h
MDIO_EOF : Gromacs.h
mdio_errcode : Gromacs.h
mdio_errdescs : Gromacs.h
mdio_errmsg() : Gromacs.h
mdio_errno() : Gromacs.h
mdio_fmtexts : Gromacs.h
mdio_header() : Gromacs.h
MDIO_IOERROR : Gromacs.h
MDIO_MAX_ERRVAL : Gromacs.h
mdio_open() : Gromacs.h
MDIO_READ : Gromacs.h
mdio_readbox() : Gromacs.h
mdio_readline() : Gromacs.h
mdio_seterror() : Gromacs.h
MDIO_SIZEERROR : Gromacs.h
MDIO_SUCCESS : Gromacs.h
mdio_timeskip() : Gromacs.h
mdio_timestep() : Gromacs.h
mdio_tsfree() : Gromacs.h
MDIO_UNKNOWNERROR : Gromacs.h
MDIO_UNKNOWNFMT : Gromacs.h
MDIO_WRITE : Gromacs.h
MDIO_WRONGFORMAT : Gromacs.h
MIN : tprplugin.C, situsplugin.C, lammpsyamlplugin.c, lammpsplugin.c
MINIMUM_RULE : ply.h
mirror() : qmplugin.h
MoCoeff : orcaplugin.C
modify_rule_ply() : ply.h, ply.c
MOLFILE_ALTLOC : molfile_plugin.h
MOLFILE_ATOMICNUMBER : molfile_plugin.h
MOLFILE_BADOPTIONS : molfile_plugin.h
MOLFILE_BFACTOR : molfile_plugin.h
MOLFILE_BIGBUFSIZ : molfile_plugin.h
MOLFILE_BONDSSPECIAL : molfile_plugin.h
MOLFILE_BUFSIZ : molfile_plugin.h
MOLFILE_CAPCYL : molfile_plugin.h
MOLFILE_CHARGE : molfile_plugin.h
MOLFILE_COLOR : molfile_plugin.h
MOLFILE_CONE : molfile_plugin.h
MOLFILE_CONVERTER_PLUGIN_TYPE : molfile_plugin.h
MOLFILE_CYLINDER : molfile_plugin.h
MOLFILE_DIRECTIO_MAX_BLOCK_SIZE : molfile_plugin.h
MOLFILE_DIRECTIO_MIN_BLOCK_SIZE : molfile_plugin.h
MOLFILE_EOF : molfile_plugin.h
MOLFILE_ERROR : molfile_plugin.h
molfile_graphics_list : stlplugin.C, molemeshplugin.C
molfile_graphics_type : molfile_plugin.h
MOLFILE_INSERTION : molfile_plugin.h
MOLFILE_LINE : molfile_plugin.h
MOLFILE_MASS : molfile_plugin.h
MOLFILE_MAXWAVEPERTS : molfile_plugin.h
MOLFILE_NOOPTIONS : molfile_plugin.h
MOLFILE_NORMS : molfile_plugin.h
MOLFILE_NOSTRUCTUREDATA : molfile_plugin.h
MOLFILE_NUMATOMS_NONE : molfile_plugin.h
MOLFILE_NUMATOMS_UNKNOWN : molfile_plugin.h
MOLFILE_OCCUPANCY : molfile_plugin.h
MOLFILE_PLUGIN_TYPE : molfile_plugin.h
MOLFILE_POINT : molfile_plugin.h
molfile_qm_charge_type : molfile_plugin.h
molfile_qm_timestep_metadata_t : molfile_plugin.h
molfile_qm_wavefunc_type : molfile_plugin.h
MOLFILE_QMCHARGE_ESP : molfile_plugin.h
MOLFILE_QMCHARGE_LOWDIN : molfile_plugin.h
MOLFILE_QMCHARGE_MULLIKEN : molfile_plugin.h
MOLFILE_QMCHARGE_NPA : molfile_plugin.h
MOLFILE_QMCHARGE_UNKNOWN : molfile_plugin.h
MOLFILE_QMSTATUS_FILE_TRUNCATED : molfile_plugin.h
MOLFILE_QMSTATUS_OPT_CONV : molfile_plugin.h
MOLFILE_QMSTATUS_OPT_NOT_CONV : molfile_plugin.h
MOLFILE_QMSTATUS_SCF_NOT_CONV : molfile_plugin.h
MOLFILE_QMSTATUS_UNKNOWN : molfile_plugin.h
MOLFILE_QMTS_GRADIENT : molfile_plugin.h
MOLFILE_QMTS_NOOPTIONS : molfile_plugin.h
MOLFILE_QMTS_SCFITER : molfile_plugin.h
MOLFILE_RADIUS : molfile_plugin.h
MOLFILE_RUNTYPE_DYNAMICS : molfile_plugin.h
MOLFILE_RUNTYPE_ENERGY : molfile_plugin.h
MOLFILE_RUNTYPE_GRADIENT : molfile_plugin.h
MOLFILE_RUNTYPE_HESSIAN : molfile_plugin.h
MOLFILE_RUNTYPE_MEX : molfile_plugin.h
MOLFILE_RUNTYPE_OPTIMIZE : molfile_plugin.h
MOLFILE_RUNTYPE_PROPERTIES : molfile_plugin.h
MOLFILE_RUNTYPE_SADPOINT : molfile_plugin.h
MOLFILE_RUNTYPE_SURFACE : molfile_plugin.h
MOLFILE_RUNTYPE_UNKNOWN : molfile_plugin.h
MOLFILE_SCFTYPE_FF : molfile_plugin.h
MOLFILE_SCFTYPE_GVB : molfile_plugin.h
MOLFILE_SCFTYPE_MCSCF : molfile_plugin.h
MOLFILE_SCFTYPE_NONE : molfile_plugin.h
MOLFILE_SCFTYPE_RHF : molfile_plugin.h
MOLFILE_SCFTYPE_ROHF : molfile_plugin.h
MOLFILE_SCFTYPE_UHF : molfile_plugin.h
MOLFILE_SCFTYPE_UNKNOWN : molfile_plugin.h
MOLFILE_SPHERE : molfile_plugin.h
MOLFILE_SUCCESS : hoomdplugin.c, molfile_plugin.h
MOLFILE_TEXT : molfile_plugin.h
molfile_timestep_metadata_t : molfile_plugin.h
MOLFILE_TRIANGLE : molfile_plugin.h
MOLFILE_TRICOLOR : molfile_plugin.h
MOLFILE_TRINORM : molfile_plugin.h
MOLFILE_WAVE_BOYS : molfile_plugin.h
MOLFILE_WAVE_CANON : molfile_plugin.h
MOLFILE_WAVE_CINATUR : molfile_plugin.h
MOLFILE_WAVE_GEMINAL : molfile_plugin.h
MOLFILE_WAVE_MCSCFNAT : molfile_plugin.h
MOLFILE_WAVE_MCSCFOPT : molfile_plugin.h
MOLFILE_WAVE_MOAO : molfile_plugin.h
MOLFILE_WAVE_NAO : molfile_plugin.h
MOLFILE_WAVE_NATO : molfile_plugin.h
MOLFILE_WAVE_NBO : molfile_plugin.h
MOLFILE_WAVE_NHO : molfile_plugin.h
MOLFILE_WAVE_NLMO : molfile_plugin.h
MOLFILE_WAVE_PIPEK : molfile_plugin.h
MOLFILE_WAVE_PNAO : molfile_plugin.h
MOLFILE_WAVE_PNBO : molfile_plugin.h
MOLFILE_WAVE_PNHO : molfile_plugin.h
MOLFILE_WAVE_PNLMO : molfile_plugin.h
MOLFILE_WAVE_RUEDEN : molfile_plugin.h
MOLFILE_WAVE_UNKNOWN : molfile_plugin.h
molid : vtfplugin.c
MRC_TYPE_BYTE : ccp4plugin.C
MRC_TYPE_FLOAT : ccp4plugin.C
MRC_TYPE_FLOAT2 : ccp4plugin.C
MRC_TYPE_SHORT : ccp4plugin.C
MRC_TYPE_SHORT2 : ccp4plugin.C
MRC_TYPE_UCHAR3 : ccp4plugin.C
MRC_TYPE_USHORT : ccp4plugin.C
msmsgets() : msmsplugin.C
multmatrix() : qmplugin.h
multpoint3d() : qmplugin.h
my_alloc() : ply.c
my_read_pdb_record() : webpdbplugin.c
myalloc : ply.h
myFclose : lammpsyamlplugin.c, lammpsplugin.c
myFgets : lammpsyamlplugin.c, lammpsplugin.c
myFopen : lammpsyamlplugin.c, lammpsplugin.c
myFprintf : lammpsyamlplugin.c, lammpsplugin.c
myintptrtype : jsplugin.c
myRewind : lammpsyamlplugin.c, lammpsplugin.c

- n -

name : xsfplugin.C
NAMED_PROP : ply.c
NAMESIZE : mdfplugin.C
NAN : situsplugin.C, edmplugin.C
NATOM_MAX : abinitplugin.c
new_value() : qcschema_json.c
next_elem() : raster3dplugin.C
nextNoncommentLine() : offplugin.C
NFILE_POS : dcdplugin.c
NFTUPD : tprplugin.h
NO_OTHER_PROPS : ply.c
NONE : avsplugin.C, qmplugin.h
norm() : qmplugin.h
NOTFOUND : orcaplugin.C, gamessplugin.c
nplugins : babelplugin.c
nr_pte_entries : periodic_table.h
NSTEP_POS : dcdplugin.c
NUM_ELEMENTS : basissetplugin.c

- o -

old_type_names : ply.c
only_numbers() : orcaplugin.C
open_amber_cdf_read() : netcdfplugin.c
open_avsfield_read() : avsplugin.C
open_babel_read() : babelplugin.c
open_basis_read() : basissetplugin.c
open_bgf_read() : bgfplugin.C
open_bgf_write() : bgfplugin.C
open_binpos_read() : binposplugin.c
open_binpos_write() : binposplugin.c
open_biomocca_read() : biomoccaplugin.C
open_brix_read() : brixplugin.C
open_car_read() : carplugin.c
open_ccp4_read() : ccp4plugin.C
open_cdf_read() : netcdfplugin.c
open_cor_file() : corplugin.c
open_cor_read() : corplugin.c
open_cpmd_read() : cpmdplugin.c
open_cpmdlog_read() : cpmdlogplugin.c
open_crd_read() : crdplugin.c
open_crd_write() : crdplugin.c
open_cube_read() : cubeplugin.C
open_dcd_read() : dcdplugin.c
open_dcd_write() : dcdplugin.c
open_dlpoly_config_read() : dlpolyplugin.c
open_dlpoly_read() : dlpolyplugin.c
open_dsn6_read() : dsn6plugin.C
open_dx_read() : dxplugin.C
open_dx_write() : dxplugin.C
open_edm_read() : edmplugin.C
open_edm_write() : edmplugin.C
open_file_read() : webpdbplugin.c, stlplugin.C, raster3dplugin.C, plyplugin.C, offplugin.C, msmsplugin.C, molemeshplugin.C, graspplugin.C, amiraplugin.C, abinitplugin.c
open_file_write() : pdbxplugin.C, pdbplugin.c, abinitplugin.c
open_for_writing_ply() : ply.h, ply.c
open_fs4_read() : fs4plugin.C
open_g96_read() : gromacsplugin.C
open_gamess_read() : gamessplugin.c
open_gaussian_read() : gaussianplugin.c
open_grd_read() : grdplugin.C
open_grid_read() : gridplugin.C
open_gro_read() : gromacsplugin.C
open_gro_write() : gromacsplugin.C
open_hoomd_read() : hoomdplugin.c
open_hoomd_write() : hoomdplugin.c
open_js_read() : jsplugin.c
open_js_write() : jsplugin.c
open_lammps_read() : lammpsplugin.c
open_lammps_write() : lammpsplugin.c
open_lammpsyaml_read() : lammpsyamlplugin.c
open_lammpsyaml_write() : lammpsyamlplugin.c
open_map_read() : mapplugin.C
open_mdf_read() : mdfplugin.C
open_mmcif_read() : mmcif.C
open_mmcif_write() : mmcif.C
open_mmtk_cdf_read() : netcdfplugin.c
open_mol2_read() : mol2plugin.C
open_mol2_write() : mol2plugin.C
open_molden_read() : moldenplugin.c
open_namdbin_read() : namdbinplugin.c
open_namdbin_write() : namdbinplugin.c
open_orca_read() : orcaplugin.C
open_parm7_file() : ReadPARM7.h
open_parm7_read() : parm7plugin.C
open_parm_read() : parmplugin.C
open_pbeq_read() : pbeqplugin.C
open_pdb_read() : pdbplugin.c, babelplugin.c
open_pdbx_read() : pdbxplugin.C
open_phi_read() : phiplugin.C
open_plt_read() : pltplugin.C
open_pqr_read() : pqrplugin.c
open_pqr_write() : pqrplugin.c
open_psf_read() : psfplugin.c
open_psf_write() : psfplugin.c
open_qcschema_read() : qcschemaplugin.c
open_read() : lmplugin.C
open_rst_read() : rst7plugin.c
open_rst_write() : rst7plugin.c
open_situs_read() : situsplugin.C
open_situs_write() : situsplugin.C
open_spider_read() : spiderplugin.C
open_tinker_read() : tinkerplugin.c
open_tng_read() : tngplugin.C
open_tng_write() : tngplugin.C
open_tpr_read() : tprplugin.C
open_trr_read() : gromacsplugin.C
open_trr_write() : gromacsplugin.C
open_uhbd_read() : uhbdplugin.C
open_vasp5xdatcar_read() : vasp5xdatcarplugin.c
open_vaspchgcar_read() : vaspchgcarplugin.c
open_vaspoutcar_read() : vaspoutcarplugin.c
open_vaspparchg_read() : vaspparchgplugin.c
open_vaspposcar_read() : vaspposcarplugin.c
open_vaspposcar_write() : vaspposcarplugin.c
open_vaspxdatcar_read() : vaspxdatcarplugin.c
open_vaspxml_read() : vaspxmlplugin.c
open_vtk_read() : vtkplugin.C
open_xbgf_read() : xbgfplugin.C
open_xbgf_write() : xbgfplugin.C
open_xsf_read() : xsfplugin.C
open_xyz_read() : xyzplugin.c
open_xyz_write() : xyzplugin.c
openbabel11filetypenames : babelplugin.c
openbabel11filetypes : babelplugin.c
openbabel11type_from_name() : babelplugin.c
ORBSPERBLOCK : cpmdlogplugin.c
ORCA3 : orcaplugin.C
ORCA4 : orcaplugin.C
OTHER_PROP : ply.c
OtherData : ply.h
OtherElem : ply.h

- p -

P_SHELL : qmplugin.h, gaussianplugin.c, cpmdlogplugin.c, basissetplugin.c
parm7 : ReadPARM7.h
parmstruct : ReadPARM7.h, ReadPARM.h
parse_parm7_atomicnumber() : ReadPARM7.h
parse_parm7_atoms() : ReadPARM7.h
parse_parm7_atype() : ReadPARM7.h
parse_parm7_bonds() : ReadPARM7.h
parse_parm7_charge() : ReadPARM7.h
parse_parm7_mass() : ReadPARM7.h
parse_parm7_resnames() : ReadPARM7.h
parse_parm7_respointers() : ReadPARM7.h
parse_pdbx_graphics_data() : pdbxplugin.C
parse_pdbx_ihm_restraints_data() : pdbxplugin.C
parse_pdbx_ihm_sphere_data() : pdbxplugin.C
parse_static_data() : orcaplugin.C, gaussianplugin.c, gamessplugin.c, cpmdlogplugin.c
parseNumberAtoms() : pdbxplugin.C
parseStructure() : pdbxplugin.C
particle_int_t : lmplugin.C
pass_keyline() : qmplugin.h
PBC_2D : carplugin.c
PBC_OFF : carplugin.c
PBC_ON : carplugin.c
PDB_ATOM : readpdb.h
PDB_BUFFER_LENGTH : readpdb.h
PDB_CONECT : readpdb.h
PDB_CRYST1 : readpdb.h
PDB_END : readpdb.h
PDB_EOF : readpdb.h
PDB_HEADER : readpdb.h
pdb_read() : webpdbplugin.c
PDB_RECORD_LENGTH : readpdb.h
PDB_REMARK : readpdb.h
PDB_UNKNOWN : readpdb.h
PDBBAD : pdbplugin.c
pdbxParser : pdbxplugin.C
pdbxWriter : pdbxplugin.C
phigets() : phiplugin.C
plugin : xyzplugin.c, xsfplugin.C, xbgfplugin.C, webpdbplugin.c, vaspxmlplugin.c, vaspxdatcarplugin.c, vaspposcarplugin.c, vaspparchgplugin.c, vaspoutcarplugin.c, vaspchgcarplugin.c, vasp5xdatcarplugin.c, uhbdplugin.C, tinkerplugin.c, stlplugin.C, spiderplugin.C, situsplugin.C, rst7plugin.c, raster3dplugin.C, qcschemaplugin.c, psfplugin.c, pqrplugin.c, plyplugin.C, pltplugin.C, phiplugin.C, pdbxplugin.C, pdbplugin.c, pbeqplugin.C, parmplugin.C, parm7plugin.C, orcaplugin.C, offplugin.C, netcdfplugin.c, namdbinplugin.c, msmsplugin.C, molemeshplugin.C, moldenplugin.c, mol2plugin.C, mmcif.C, mapplugin.C, lammpsyamlplugin.c, lammpsplugin.c, jsplugin.c, hoomdplugin.c, gridplugin.C, grdplugin.C, graspplugin.C, gamessplugin.c, fs4plugin.C, edmplugin.C, dsn6plugin.C, dcdplugin.c, crdplugin.c, cpmdplugin.c, corplugin.c, ccp4plugin.C, carplugin.c, brixplugin.C, biomoccaplugin.C, binposplugin.c, bgfplugin.C, basissetplugin.c, avsplugin.C, amiraplugin.C
plugins : babelplugin.c
PLY_ASCII : ply.h
PLY_BINARY_BE : ply.h
PLY_BINARY_LE : ply.h
ply_close() : ply.c
ply_describe_property() : ply.h, ply.c
PLY_ERROR : ply.h
ply_get_element() : ply.h, ply.c
ply_get_other_properties() : ply.c
ply_get_property() : ply.h, ply.c
PLY_LIST : ply.h
PLY_OKAY : ply.h
ply_open_for_reading() : ply.c
ply_read() : ply.c
PLY_SCALAR : ply.h
PLY_STRING : ply.h
ply_type_size : ply.c
ply_write() : ply.c
PlyElement : ply.h
PlyFile : ply.h
PlyOtherElems : ply.h
PlyOtherProp : ply.h
PlyProperty : ply.h
PlyPropRules : ply.h
PlyRuleList : ply.h
POT_read_volumetric_data() : abinitplugin.c
POT_read_volumetric_metadata() : abinitplugin.c
POTENTIALS : graspplugin.C
PQR_ATOM : pqrplugin.c
PQR_CRYST1 : pqrplugin.c
PQR_END : pqrplugin.c
PQR_EOF : pqrplugin.c
PQR_ERROR : pqrplugin.c
PQR_RECORD_LENGTH : pqrplugin.c
PQR_REMARK : pqrplugin.c
PQR_UNKNOWN : pqrplugin.c
print_dcderror() : dcdplugin.c
print_input_data() : orcaplugin.C, gamessplugin.c, basissetplugin.c
print_matrix4() : qmplugin.h
PRINTERR : orcaplugin.C, hoomdplugin.c, gaussianplugin.c, gamessplugin.c, cpmdlogplugin.c, basissetplugin.c
PROPERTY_1 : graspplugin.C
PROPERTY_2 : graspplugin.C
psf_get_angles() : psfplugin.c
psf_get_bonds() : psfplugin.c
psf_get_dihedrals_impropers() : psfplugin.c
PSF_RECORD_LENGTH : psfplugin.c
psf_start_block() : psfplugin.c
pte_label : periodic_table.h
pte_mass : periodic_table.h
pte_vdw_radius : periodic_table.h
put_element_ply() : ply.h, ply.c
put_element_setup_ply() : ply.h, ply.c
put_other_elements_ply() : ply.h, ply.c
put_trx_int() : Gromacs.h
put_trx_real() : Gromacs.h
put_trx_string() : Gromacs.h

- q -

qm_vec_sub() : qmplugin.h

- r -

RADTODEG : qmplugin.h
RANDOM_RULE : ply.h
rcsbmsg : webpdbplugin.c
RDME_RADIUS_SCALE : lmplugin.C
READ : dcdplugin.c
read_amber_cdf_timestep() : netcdfplugin.c
read_angles() : psfplugin.c
read_atomtypes() : tprplugin.C
read_avsfield_data() : avsplugin.C
read_avsfield_metadata() : avsplugin.C
read_basis_metadata() : basissetplugin.c
read_basis_rundata() : basissetplugin.c
read_bgf_bonds() : bgfplugin.C
read_bgf_bonds_aux() : bgfplugin.C
read_bgf_structure() : bgfplugin.C
read_bgf_timestep() : bgfplugin.C
read_binary_dx_data() : dxplugin.C
read_biomocca_data() : biomoccaplugin.C
read_biomocca_metadata() : biomoccaplugin.C
read_bonds() : webpdbplugin.c, psfplugin.c, pdbxplugin.C, pdbplugin.c, lmplugin.C
read_brix_data() : brixplugin.C
read_brix_metadata() : brixplugin.C
read_car_coordinates() : carplugin.c
read_car_structure() : carplugin.c
read_car_structure_line() : carplugin.c
read_car_timestep() : carplugin.c
read_ccp4_data() : ccp4plugin.C
read_ccp4_metadata() : ccp4plugin.C
read_cdf_structure() : netcdfplugin.c
read_cdf_timestep() : netcdfplugin.c
read_charmm_4dim() : dcdplugin.c
read_charmm_extrablock() : dcdplugin.c
read_cmap() : tprplugin.C
read_coeff_block() : gamessplugin.c
read_cor_structure() : corplugin.c
read_cor_timestep() : corplugin.c
read_cpmd_structure() : cpmdplugin.c
read_cpmd_timestep() : cpmdplugin.c
read_cpmdlog_metadata() : cpmdlogplugin.c
read_cpmdlog_rundata() : cpmdlogplugin.c
read_cpmdlog_structure() : cpmdlogplugin.c
read_crd_timestep() : crdplugin.c
read_cube_data() : cubeplugin.C
read_cube_metadata() : cubeplugin.C
read_cube_structure() : cubeplugin.C
read_cube_timestep() : cubeplugin.C
read_datasource() : avsplugin.C
read_dcdheader() : dcdplugin.c
read_dcdstep() : dcdplugin.c
read_dlpoly_config_structure() : dlpolyplugin.c
read_dlpoly_config_timestep() : dlpolyplugin.c
read_dlpoly_structure() : dlpolyplugin.c
read_dlpoly_timestep() : dlpolyplugin.c
read_dsn6_data() : dsn6plugin.C
read_dsn6_metadata() : dsn6plugin.C
read_dx_data() : dxplugin.C
read_dx_metadata() : dxplugin.C
read_edm_data() : edmplugin.C
read_edm_metadata() : edmplugin.C
read_first_frame() : orcaplugin.C, gaussianplugin.c, gamessplugin.c, cpmdlogplugin.c
read_fixed_atoms() : dcdplugin.c
read_fs4_data() : fs4plugin.C
read_fs4_metadata() : fs4plugin.C
read_g96_structure() : gromacsplugin.C
read_g96_timestep() : gromacsplugin.C
read_gamess_metadata() : gamessplugin.c
read_gamess_rundata() : gamessplugin.c
read_gamess_structure() : gamessplugin.c
read_gaussian_metadata() : gaussianplugin.c
read_gaussian_rundata() : gaussianplugin.c
read_gaussian_structure() : gaussianplugin.c
read_geom_block() : moldenplugin.c
read_grd_data() : grdplugin.C
read_grd_metadata() : grdplugin.C
read_grid_data() : gridplugin.C
read_grid_metadata() : gridplugin.C
read_gro_molecule_metadata() : gromacsplugin.C
read_gro_structure() : gromacsplugin.C
read_gro_timestep() : gromacsplugin.C
read_groups() : tprplugin.C
read_hoomd_angles() : hoomdplugin.c
read_hoomd_bonds() : hoomdplugin.c
read_hoomd_structure() : hoomdplugin.c
read_hoomd_timestep() : hoomdplugin.c
read_js_angles() : jsplugin.c
read_js_bonds() : jsplugin.c
read_js_structure() : jsplugin.c
read_js_timestep() : jsplugin.c
read_js_timestep_index_offsets() : jsplugin.c
read_js_timestep_pagealign_size() : jsplugin.c
read_lammps_structure() : lammpsplugin.c
read_lammps_timestep() : lammpsplugin.c
read_lammpsyaml_structure() : lammpsyamlplugin.c
read_lammpsyaml_timestep() : lammpsyamlplugin.c
read_localized_orbitals() : gamessplugin.c
read_map_data() : mapplugin.C
read_map_metadata() : mapplugin.C
read_mdf_bonds() : mdfplugin.C
read_mdf_structure() : mdfplugin.C
read_mdf_structure_line() : mdfplugin.C
read_mmcif_structure() : mmcif.C
read_mmcif_timestep() : mmcif.C
read_mmtk_cdf_structure() : netcdfplugin.c
read_mmtk_cdf_timestep() : netcdfplugin.c
read_mol2() : mol2plugin.C
read_mol2_bonds() : mol2plugin.C
read_mol2_bonds_aux() : mol2plugin.C
read_mol2_timestep() : mol2plugin.C
read_molden_metadata() : moldenplugin.c
read_molden_rundata() : moldenplugin.c
read_molden_structure() : moldenplugin.c
read_molecular_orbitals() : qcschemaplugin.c, moldenplugin.c
read_molecule_metadata() : webpdbplugin.c, pdbplugin.c
read_next_timestep() : webpdbplugin.c, pdbplugin.c, namdbinplugin.c, dcdplugin.c, binposplugin.c, babelplugin.c, abinitplugin.c
read_orca_metadata() : orcaplugin.C
read_orca_rundata() : orcaplugin.C
read_orca_structure() : orcaplugin.C
read_parm7_bonds() : parm7plugin.C
read_parm7_flag() : ReadPARM7.h
read_parm7_header() : ReadPARM7.h
read_parm7_structure() : parm7plugin.C
read_parm_bonds() : parmplugin.C
read_parm_structure() : parmplugin.C
read_pbeq_data() : pbeqplugin.C
read_pbeq_metadata() : pbeqplugin.C
read_pdb_record() : readpdb.h
read_pdb_structure() : webpdbplugin.c, pdbplugin.c, babelplugin.c
read_pdbx_structure() : pdbxplugin.C
read_pdbx_timestep() : pdbxplugin.C
read_phi_data() : phiplugin.C
read_phi_metadata() : phiplugin.C
read_plt_data() : pltplugin.C
read_plt_metadata() : pltplugin.C
read_ply() : ply.h, ply.c
read_pqr_record() : pqrplugin.c
read_pqr_structure() : pqrplugin.c
read_pqr_timestep() : pqrplugin.c
read_psf() : psfplugin.c
read_qcschema_metadata() : qcschemaplugin.c
read_qcschema_rundata() : qcschemaplugin.c
read_qcschema_structure() : qcschemaplugin.c
read_qm_timestep_metadata() : qcschemaplugin.c, orcaplugin.C, moldenplugin.c
read_rawgraphics() : stlplugin.C, raster3dplugin.C, plyplugin.C, pdbxplugin.C, offplugin.C, msmsplugin.C, molemeshplugin.C, graspplugin.C, amiraplugin.C
read_rst_timestep() : rst7plugin.c
read_shell_primitives() : gamessplugin.c, basissetplugin.c
read_situs_data() : situsplugin.C
read_situs_metadata() : situsplugin.C
read_spider_data() : spiderplugin.C
read_spider_metadata() : spiderplugin.C
read_structure() : lmplugin.C, abinitplugin.c
read_timestep() : qcschemaplugin.c, orcaplugin.C, moldenplugin.c, lmplugin.C
read_timestep_metadata() : tngplugin.C, qcschemaplugin.c, orcaplugin.C, moldenplugin.c
read_tinker_structure() : tinkerplugin.c
read_tinker_timestep() : tinkerplugin.c
read_tng_bonds() : tngplugin.C
read_tng_structure() : tngplugin.C
read_tng_timestep() : tngplugin.C
read_tpr_angles() : tprplugin.C
read_tpr_bonds() : tprplugin.C
read_tpr_structure() : tprplugin.C
read_tpr_timestep() : tprplugin.C
read_tpr_timestep_metadata() : tprplugin.C
read_trr_timestep() : gromacsplugin.C
read_uhbd_data() : uhbdplugin.C
read_uhbd_metadata() : uhbdplugin.C
read_vasp5xdatcar_structure() : vasp5xdatcarplugin.c
read_vasp5xdatcar_timestep() : vasp5xdatcarplugin.c
read_vaspchgcar_data() : vaspchgcarplugin.c
read_vaspchgcar_metadata() : vaspchgcarplugin.c
read_vaspoutcar_structure() : vaspoutcarplugin.c
read_vaspoutcar_timestep() : vaspoutcarplugin.c
read_vaspparchg_data() : vaspparchgplugin.c
read_vaspparchg_metadata() : vaspparchgplugin.c
read_vaspposcar_structure() : vaspposcarplugin.c
read_vaspposcar_timestep() : vaspposcarplugin.c
read_vaspxdatcar_structure() : vaspxdatcarplugin.c
read_vaspxdatcar_timestep() : vaspxdatcarplugin.c
read_vaspxml_structure() : vaspxmlplugin.c
read_vaspxml_timestep() : vaspxmlplugin.c
read_volumetric_data() : amiraplugin.C, abinitplugin.c
read_volumetric_metadata() : amiraplugin.C, abinitplugin.c
read_vtk_data() : vtkplugin.C
read_vtk_metadata() : vtkplugin.C
read_wave_coeffs() : qcschemaplugin.c, moldenplugin.c
read_xbgf_bonds() : xbgfplugin.C
read_xbgf_bonds_aux() : xbgfplugin.C
read_xbgf_molecule_metadata() : xbgfplugin.C
read_xbgf_structure() : xbgfplugin.C
read_xbgf_timestep() : xbgfplugin.C
read_xsf_data() : xsfplugin.C
read_xsf_metadata() : xsfplugin.C
read_xsf_structure() : xsfplugin.C
read_xsf_timestep() : xsfplugin.C
read_xyz_structure() : xyzplugin.c
read_xyz_timestep() : xyzplugin.c
readAngleBonds() : pdbxplugin.C
readBonds() : pdbxplugin.C
readff() : tprplugin.C
readparams() : tprplugin.h
readRMSDBonds() : pdbxplugin.C
readtoeoln() : ReadPARM.h
readtprAfterPrecision() : tprplugin.C
rebuild_table() : hash.c
rebuild_table_int() : inthash.c
recreate_command_line() : ply.h, ply.c
RECSCALE32BIT : dcdplugin.c
RECSCALE64BIT : dcdplugin.c
RECSCALEMAX : dcdplugin.c
RECTILINEAR : avsplugin.C
reduce() : orcaplugin.C
register_cb() : main.c
remap_field() : lammpsyamlplugin.c, lammpsplugin.c
replace_wavefunction() : qmplugin.h
rot() : qmplugin.h
rule_name_list : ply.c
RuleName : ply.c
RUNTYP_DYNAMICS : gaussianplugin.h
RUNTYP_ENERGY : gaussianplugin.h
RUNTYP_HESSIAN : gaussianplugin.h
RUNTYP_OPTIMIZE : gaussianplugin.h
RUNTYP_PROPERTIES : gaussianplugin.h
RUNTYP_SADPOINT : gaussianplugin.h
RUNTYP_SURFACE : gaussianplugin.h
RUNTYP_UNKNOWN : gaussianplugin.h
runtypes : gaussianplugin.c, cpmdlogplugin.c

- s -

S_SHELL : qmplugin.h, gaussianplugin.c, cpmdlogplugin.c, basissetplugin.c
SAFE_CALLOC : hoomdplugin.c, gaussianplugin.c, cpmdlogplugin.c
SAFE_FREE : hoomdplugin.c, gaussianplugin.c, cpmdlogplugin.c
SAME_RULE : ply.h
SAVELEN : tprplugin.C
scale() : qmplugin.h
SCFTYP_FF : gaussianplugin.h
SCFTYP_GVB : gaussianplugin.h
SCFTYP_MCSCF : gaussianplugin.h
SCFTYP_RHF : gaussianplugin.h
SCFTYP_ROHF : gaussianplugin.h
SCFTYP_UHF : gaussianplugin.h
SCFTYP_UNKNOWN : gaussianplugin.h
scftypes : gaussianplugin.c, cpmdlogplugin.c
SECTION_CLOSE : hoomdplugin.c
SECTION_OPEN : hoomdplugin.c
SECTION_WRITE_ATOMIC : hoomdplugin.c
set_atom_attributes() : netcdfplugin.c
Set_Colour() : graspplugin.C
set_prop_rules_ply() : ply.h, ply.c
setup_element_read_ply() : ply.h, ply.c
setup_other_props() : ply.c
setup_property_ply() : ply.h, ply.c
sfiletype : main.c
sfree() : vtfplugin.c
shellsymm_int() : gaussianplugin.c, cpmdlogplugin.c
Shelltype : orcaplugin.C
shelltype_int() : qcschemaplugin.c, orcaplugin.C, moldenplugin.c, gamessplugin.c, basissetplugin.c
SHORTWORD : graspplugin.C
show_msg : webpdbplugin.c
site_int_t : lmplugin.C
situs_voxel_value_interpolate() : situsplugin.C
situs_voxel_value_interpolate_from_coord() : situsplugin.C
situs_voxel_value_safe() : situsplugin.C
skip_dcdstep() : dcdplugin.c
skipNextWord() : pdbxplugin.C
SMALL : lammpsyamlplugin.c, lammpsplugin.c, hoomdplugin.c
SP_P_SHELL : qmplugin.h, gaussianplugin.c, cpmdlogplugin.c, basissetplugin.c
SP_S_SHELL : qmplugin.h, gaussianplugin.c, cpmdlogplugin.c, basissetplugin.c
SP_SHELL : qmplugin.h
SPD_D_SHELL : qmplugin.h, gaussianplugin.c, cpmdlogplugin.c, basissetplugin.c
SPD_P_SHELL : qmplugin.h, gaussianplugin.c, cpmdlogplugin.c, basissetplugin.c
SPD_S_SHELL : qmplugin.h, gaussianplugin.c, cpmdlogplugin.c, basissetplugin.c
SPD_SHELL : qmplugin.h
SPIN_ALPHA : qmplugin.h, gaussianplugin.c, cpmdlogplugin.c, basissetplugin.c
SPIN_BETA : qmplugin.h, gaussianplugin.c, cpmdlogplugin.c, basissetplugin.c
split() : orcaplugin.C
splugin : main.c
start_props_ply() : ply.h, ply.c
StartType : ply.h
STATUS_BROKEN_OFF : gaussianplugin.c, cpmdlogplugin.c
STATUS_CONVERGED : gaussianplugin.c, cpmdlogplugin.c
STATUS_SCF_NOT_CONV : gaussianplugin.c, cpmdlogplugin.c
STATUS_TOO_MANY_STEPS : gaussianplugin.c, cpmdlogplugin.c
STATUS_UNKNOWN : gaussianplugin.c, cpmdlogplugin.c
STOPPED : orcaplugin.C, gamessplugin.c, basissetplugin.c
store_item() : ply.c
STORE_PROP : ply.c
string_add : qcschema_json.c
stringToFloat() : pdbxplugin.C
strip_white() : Gromacs.h
strip_whitespace() : corplugin.c
STRLEN : tprplugin.C
strnwscpy() : fortread.h
strnwscpy_shift() : psfplugin.c
strtoupper() : qmplugin.h
swap2_aligned() : endianswap.h
swap2_unaligned() : endianswap.h
swap4_aligned() : endianswap.h
swap4_unaligned() : endianswap.h
swap8_aligned() : endianswap.h
swap8_unaligned() : endianswap.h
symmetry_expand() : qmplugin.h

- t -

TableColums : pdbxplugin.C
thisline() : qmplugin.h
THISPLUGIN : vtkplugin.C, mdfplugin.C, lammpsyamlplugin.c, lammpsplugin.c, hoomdplugin.c, gaussianplugin.c, dxplugin.C, cubeplugin.C, cpmdlogplugin.c
TIMESTEP_INDEXED : vtfplugin.c
TIMESTEP_ORDERED : vtfplugin.c
TIMESTEP_VCFSTART : vtfplugin.c
tng_plugin : tngplugin.C
TNG_PLUGIN_MAJOR_VERSION : tngplugin.C
TNG_PLUGIN_MINOR_VERSION : tngplugin.C
TO_ANGSTROM : lmplugin.C
TOLERANCE : situsplugin.C, edmplugin.C
TORF : gamessplugin.c, basissetplugin.c
tpr_ivector() : Gromacs.h
tpr_plugin : tprplugin.C
tpr_rvector() : Gromacs.h
tpr_save_string() : tprplugin.C
tpr_string() : Gromacs.h
TRASH : graspplugin.C
trim() : orcaplugin.C
trimleft() : qmplugin.h
trimright() : qmplugin.h
trj_plugin : gromacsplugin.C
trr_plugin : gromacsplugin.C
TRUE : tprplugin.C, qmplugin.h, gaussianplugin.h
trx_double() : Gromacs.h
trx_header() : Gromacs.h
trx_int() : Gromacs.h
trx_long() : Gromacs.h
TRX_MAGIC : Gromacs.h
trx_real() : Gromacs.h
trx_rvector() : Gromacs.h
trx_string() : Gromacs.h
trx_timeskip() : Gromacs.h
trx_timestep() : Gromacs.h
type_names : ply.c
TYPE_SIZE : pdbxplugin.C

- u -

uhbdgets() : uhbdplugin.C
Uint16 : ply.h
Uint32 : ply.h
Uint8 : ply.h
UNFORMATTED : avsplugin.C
UNIFORM : avsplugin.C
UNK_SHELL : qmplugin.h, gaussianplugin.c, cpmdlogplugin.c, basissetplugin.c
USENEWCODE : ReadPARM.h
userdata_varname : vtfplugin.c

- v -

vasp_buildrotmat() : vaspplugin.h
vasp_plugindata_free() : vaspplugin.h
vasp_plugindata_malloc() : vaspplugin.h
vasp_timestep_unitcell() : vaspplugin.h
vcfplugin : vtfplugin.c
VECTOR : graspplugin.C
velinfo : lammpsyamlplugin.c, lammpsplugin.c
VERSION_MAJOR : vtfplugin.c
VERSION_MINOR : vtfplugin.c
vert_props : plyplugin.C
Vertex : plyplugin.C
VERTEXCOLOR : graspplugin.C
vmd_closedir() : vmddir.h
vmd_delete_file() : babelplugin.c
vmd_file_is_executable() : vmddir.h
VMD_FILENAME_MAX : vmddir.h
vmd_getuid() : babelplugin.c
vmd_opendir() : vmddir.h
VMD_PI : qmplugin.h
vmd_readdir() : vmddir.h
VMDCON_ALL : vmdconio.h
VMDCON_INFO : vmdconio.h
VMDEXTERNSTATIC : inthash.h, hash.h
VMDPLUGIN : vmdplugin.h
vmdplugin_ABIVERSION : vmdplugin.h
VMDPLUGIN_API : vmdplugin.h
VMDPLUGIN_ERROR : vmdplugin.h
VMDPLUGIN_EXTERN : vmdplugin.h
VMDPLUGIN_fini : xyzplugin.c, xsfplugin.C, xbgfplugin.C, webpdbplugin.c, vtkplugin.C, vtfplugin.c, vaspxmlplugin.c, vaspxdatcarplugin.c, vaspposcarplugin.c, vaspparchgplugin.c, vaspoutcarplugin.c, vaspchgcarplugin.c, vasp5xdatcarplugin.c, uhbdplugin.C, tprplugin.C, tngplugin.C, tinkerplugin.c, stlplugin.C, spiderplugin.C, situsplugin.C, rst7plugin.c, raster3dplugin.C, qcschemaplugin.c, psfplugin.c, pqrplugin.c, plyplugin.C, pltplugin.C, phiplugin.C, pdbxplugin.C, pdbplugin.c, pbeqplugin.C, parmplugin.C, parm7plugin.C, orcaplugin.C, offplugin.C, netcdfplugin.c, namdbinplugin.c, msmsplugin.C, molemeshplugin.C, moldenplugin.c, mol2plugin.C, mmcif.C, mdfplugin.C, mapplugin.C, lmplugin.C, lammpsyamlplugin.c, lammpsplugin.c, jsplugin.c, hoomdplugin.c, gromacsplugin.C, gridplugin.C, grdplugin.C, graspplugin.C, gaussianplugin.c, gamessplugin.c, fs4plugin.C, edmplugin.C, dxplugin.C, dsn6plugin.C, dlpolyplugin.c, dcdplugin.c, cubeplugin.C, crdplugin.c, cpmdplugin.c, cpmdlogplugin.c, corplugin.c, ccp4plugin.C, carplugin.c, brixplugin.C, biomoccaplugin.C, binposplugin.c, bgfplugin.C, basissetplugin.c, babelplugin.c, avsplugin.C, amiraplugin.C, abinitplugin.c, vmdplugin.h
vmdplugin_HEAD : vmdplugin.h
VMDPLUGIN_init : xyzplugin.c, xsfplugin.C, xbgfplugin.C, webpdbplugin.c, vtkplugin.C, vtfplugin.c, vaspxmlplugin.c, vaspxdatcarplugin.c, vaspposcarplugin.c, vaspparchgplugin.c, vaspoutcarplugin.c, vaspchgcarplugin.c, vasp5xdatcarplugin.c, uhbdplugin.C, tprplugin.C, tngplugin.C, tinkerplugin.c, stlplugin.C, spiderplugin.C, situsplugin.C, rst7plugin.c, raster3dplugin.C, qcschemaplugin.c, psfplugin.c, pqrplugin.c, plyplugin.C, pltplugin.C, phiplugin.C, pdbxplugin.C, pdbplugin.c, pbeqplugin.C, parmplugin.C, parm7plugin.C, orcaplugin.C, offplugin.C, netcdfplugin.c, namdbinplugin.c, msmsplugin.C, molemeshplugin.C, moldenplugin.c, mol2plugin.C, mmcif.C, mdfplugin.C, mapplugin.C, lmplugin.C, lammpsyamlplugin.c, lammpsplugin.c, jsplugin.c, hoomdplugin.c, gromacsplugin.C, gridplugin.C, grdplugin.C, graspplugin.C, gaussianplugin.c, gamessplugin.c, fs4plugin.C, edmplugin.C, dxplugin.C, dsn6plugin.C, dlpolyplugin.c, dcdplugin.c, cubeplugin.C, crdplugin.c, cpmdplugin.c, cpmdlogplugin.c, corplugin.c, ccp4plugin.C, carplugin.c, brixplugin.C, biomoccaplugin.C, binposplugin.c, bgfplugin.C, basissetplugin.c, babelplugin.c, avsplugin.C, amiraplugin.C, abinitplugin.c, vmdplugin.h
VMDPLUGIN_register : xyzplugin.c, xsfplugin.C, xbgfplugin.C, webpdbplugin.c, vtkplugin.C, vtfplugin.c, vaspxmlplugin.c, vaspxdatcarplugin.c, vaspposcarplugin.c, vaspparchgplugin.c, vaspoutcarplugin.c, vaspchgcarplugin.c, vasp5xdatcarplugin.c, uhbdplugin.C, tprplugin.C, tngplugin.C, tinkerplugin.c, stlplugin.C, spiderplugin.C, situsplugin.C, rst7plugin.c, raster3dplugin.C, qcschemaplugin.c, psfplugin.c, pqrplugin.c, plyplugin.C, pltplugin.C, phiplugin.C, pdbxplugin.C, pdbplugin.c, pbeqplugin.C, parmplugin.C, parm7plugin.C, orcaplugin.C, offplugin.C, netcdfplugin.c, namdbinplugin.c, msmsplugin.C, molemeshplugin.C, moldenplugin.c, mol2plugin.C, mmcif.C, mdfplugin.C, mapplugin.C, lmplugin.C, lammpsyamlplugin.c, lammpsplugin.c, jsplugin.c, hoomdplugin.c, gromacsplugin.C, gridplugin.C, grdplugin.C, graspplugin.C, gaussianplugin.c, gamessplugin.c, fs4plugin.C, edmplugin.C, dxplugin.C, dsn6plugin.C, dlpolyplugin.c, dcdplugin.c, cubeplugin.C, crdplugin.c, cpmdplugin.c, cpmdlogplugin.c, corplugin.c, ccp4plugin.C, carplugin.c, brixplugin.C, biomoccaplugin.C, binposplugin.c, bgfplugin.C, basissetplugin.c, babelplugin.c, avsplugin.C, amiraplugin.C, abinitplugin.c, vmdplugin.h
vmdplugin_register_cb : vmdplugin.h
VMDPLUGIN_register_tcl : vmdplugin.h
VMDPLUGIN_STATIC : tprplugin.C, pdbxplugin.C, mdfplugin.C, lammpsyamlplugin.c, lammpsplugin.c, jsplugin.c
VMDPLUGIN_SUCCESS : vmdplugin.h
VMDPLUGIN_THREADSAFE : vmdplugin.h
VMDPLUGIN_THREADUNSAFE : vmdplugin.h
VMDUSECONECTRECORDS : readpdb.h
vsfplugin : vtfplugin.c
vtf_close_file_read() : vtfplugin.c
vtf_create_atoms_as_needed() : vtfplugin.c
vtf_error() : vtfplugin.c
vtf_getline() : vtfplugin.c
vtf_lineno : vtfplugin.c
VTF_MOLFILE : vtfplugin.c
vtf_open_file_read() : vtfplugin.c
vtf_parse_aid_specifier() : vtfplugin.c
vtf_parse_atom() : vtfplugin.c
vtf_parse_bond() : vtfplugin.c
vtf_parse_pbc() : vtfplugin.c
vtf_parse_structure() : vtfplugin.c
vtf_parse_timestep() : vtfplugin.c
vtf_read_bonds() : vtfplugin.c
vtf_read_next_timestep() : vtfplugin.c
vtf_read_structure() : vtfplugin.c
VTF_USERDATA : vtfplugin.c
VTFFILE : vtfplugin.c
vtfplugin : vtfplugin.c
vtkgets() : vtkplugin.C
vtkgetstrcmp() : vtkplugin.C
vtkplugin : vtkplugin.C

- w -

WB_SIZE : pdbxplugin.C
weight_props_ply() : ply.h, ply.c
WFK_read_volumetric_data() : abinitplugin.c
WFK_read_volumetric_metadata() : abinitplugin.c
whereami() : qmplugin.h
whitespace : qcschema_json.c
would_overflow() : qcschema_json.c
write() : pdbxplugin.C
WRITE : dcdplugin.c
write_angles() : psfplugin.c
write_ascii_item() : ply.c
write_bgf_bonds() : bgfplugin.C
write_bgf_structure() : bgfplugin.C
write_bgf_timestep() : bgfplugin.C
write_binary_item() : ply.c
write_bonds() : psfplugin.c
write_crd_timestep() : crdplugin.c
write_cryst1() : pdbplugin.c
write_dcdheader() : dcdplugin.c
write_dcdstep() : dcdplugin.c
write_dx_data() : dxplugin.C
write_edm_data() : edmplugin.C
write_gro_structure() : gromacsplugin.C
write_gro_timestep() : gromacsplugin.C
write_hoomd_angles() : hoomdplugin.c
write_hoomd_bonds() : hoomdplugin.c
write_hoomd_structure() : hoomdplugin.c
write_hoomd_timestep() : hoomdplugin.c
write_js_angles() : jsplugin.c
write_js_bonds() : jsplugin.c
write_js_structure() : jsplugin.c
write_js_timestep() : jsplugin.c
write_lammps_structure() : lammpsplugin.c
write_lammps_timestep() : lammpsplugin.c
write_lammpsyaml_structure() : lammpsyamlplugin.c
write_lammpsyaml_timestep() : lammpsyamlplugin.c
write_mol2_bonds() : mol2plugin.C
write_mol2_structure() : mol2plugin.C
write_mol2_timestep() : mol2plugin.C
write_ply() : ply.h, ply.c
write_pqr_atom() : pqrplugin.c
write_pqr_cryst1() : pqrplugin.c
write_pqr_structure() : pqrplugin.c
write_pqr_timestep() : pqrplugin.c
write_psf_structure() : psfplugin.c
write_raw_pdb_record() : readpdb.h
write_rst_timestep() : rst7plugin.c
write_scalar_type() : ply.c
write_situs_data() : situsplugin.C
write_structure() : pdbxplugin.C, pdbplugin.c, abinitplugin.c
write_timestep() : pdbxplugin.C, pdbplugin.c, namdbinplugin.c, dcdplugin.c, binposplugin.c, abinitplugin.c
write_tng_bonds() : tngplugin.C
write_tng_structure() : tngplugin.C
write_tng_timestep() : tngplugin.C
write_trr_timestep() : gromacsplugin.C
write_vaspposcar_structure() : vaspposcarplugin.c
write_vaspposcar_timestep() : vaspposcarplugin.c
write_xbgf_bonds() : xbgfplugin.C
write_xbgf_structure() : xbgfplugin.C
write_xbgf_timestep() : xbgfplugin.C
write_xyz_structure() : xyzplugin.c
write_xyz_timestep() : xyzplugin.c
writeAtomSite() : pdbxplugin.C
writeBuffer() : pdbxplugin.C
writeFile() : pdbxplugin.C
writeIntro() : pdbxplugin.C

- x -

xcat : vmdplugin.h
XML_ATTR_COPY : hoomdplugin.c
xml_comment() : hoomdplugin.c
xml_data_block() : hoomdplugin.c
xml_end_tag() : hoomdplugin.c
xml_new_tag() : hoomdplugin.c
XML_UNK_ATTR : hoomdplugin.c
xsf_aliases : xsfplugin.C
xsf_ANIMSTEPS : xsfplugin.C
xsf_ATOMS : xsfplugin.C
xsf_BAND : xsfplugin.C
xsf_BEG_2D_BLOCK : xsfplugin.C
xsf_BEG_2D_DATA : xsfplugin.C
xsf_BEG_3D_BAND : xsfplugin.C
xsf_BEG_3D_BLOCK : xsfplugin.C
xsf_BEG_3D_DATA : xsfplugin.C
xsf_BEGINFO : xsfplugin.C
xsf_buildinvmat() : xsfplugin.C
xsf_buildrotmat() : xsfplugin.C
xsf_COMMENT : xsfplugin.C
xsf_CONVCOORD : xsfplugin.C
xsf_CONVVEC : xsfplugin.C
xsf_CRYSTAL : xsfplugin.C
xsf_END_2D_BLOCK : xsfplugin.C
xsf_END_2D_DATA : xsfplugin.C
xsf_END_3D_BAND : xsfplugin.C
xsf_END_3D_BLOCK : xsfplugin.C
xsf_END_3D_DATA : xsfplugin.C
xsf_ENDINFO : xsfplugin.C
xsf_keyword_t : xsfplugin.C
xsf_MOLECULE : xsfplugin.C
xsf_NR_KEYWORDS : xsfplugin.C
xsf_POLYMER : xsfplugin.C
xsf_PRIMCOORD : xsfplugin.C
xsf_PRIMVEC : xsfplugin.C
xsf_read_cell() : xsfplugin.C
xsf_readbox() : xsfplugin.C
xsf_SLAB : xsfplugin.C
xsf_symtab : xsfplugin.C
xsf_UNKNOWN : xsfplugin.C
xtc_3dfcoord() : Gromacs.h
xtc_at_header_start() : Gromacs.h
xtc_data() : Gromacs.h
xtc_float() : Gromacs.h
xtc_int() : Gromacs.h
XTC_MAGIC : Gromacs.h
xtc_magicints : Gromacs.h
xtc_plugin : gromacsplugin.C
xtc_receivebits() : Gromacs.h
xtc_receiveints() : Gromacs.h
xtc_sizeofint() : Gromacs.h
xtc_sizeofints() : Gromacs.h
xtc_timeskip() : Gromacs.h
xtc_timestep() : Gromacs.h

Generated on Tue Oct 15 03:09:31 2024 for VMD Plugins (current) by