NAMD
GridforceFullMainGrid Member List

This is the complete list of members for GridforceFullMainGrid, including all inherited members.

borderGridforceFullMainGridprotected
buildSubgridsFlat(void)GridforceFullMainGridprotected
centerGridforceFullBaseGridprotected
checksizeGridforceFullBaseGridprotected
compute_a(float *a, float *b) const GridforceFullBaseGridinlineprotected
compute_b(float *b, int *inds, Vector gapscale) const GridforceFullMainGridprotectedvirtual
compute_d2V(float *a, float *x, float *y, float *z) const GridforceFullBaseGridinlineprotected
compute_d3V(float *a, float *x, float *y, float *z) const GridforceFullBaseGridinlineprotected
compute_dV(float *a, float *x, float *y, float *z) const GridforceFullBaseGridinlineprotected
compute_V(float *a, float *x, float *y, float *z) const GridforceFullBaseGridinlineprotected
compute_VdV(Position pos, float &V, Vector &dV) const GridforceFullMainGridinline
contGridforceFullBaseGridprotected
default_borderGridforceFullMainGridprotectedstatic
dkGridforceFullBaseGridprotected
dk_nopadGridforceFullBaseGridprotected
eGridforceFullBaseGridprotected
factorGridforceFullBaseGridprotected
filenameGridforceFullMainGridprotected
fits_lattice(const Lattice &lattice)GridforceGrid
gapGridforceFullBaseGridprotected
gapinvGridforceFullBaseGridprotected
generationGridforceFullBaseGridprotected
get_all_gridvals(float **all_gridvals) const GridforceFullMainGridprotectedvirtual
get_border(void) const GridforceFullMainGridinlinevirtual
get_center(void) const GridforceFullMainGridinlinevirtual
get_checksize(void) const GridforceFullMainGridinlinevirtual
get_corner(int idx)GridforceGridprotected
get_e(void) const GridforceFullMainGridinlinevirtual
get_grid(int i0, int i1, int i2) const GridforceFullBaseGridinline
get_grid_d(int i0, int i1, int i2) const GridforceFullBaseGridinline
get_grid_type(void)GridforceGridinline
get_inds(Position pos, int *inds, Vector &dg, Vector &gapscale) const GridforceFullBaseGridinlineprotected
get_inv(void) const GridforceFullMainGridinlinevirtual
get_k0(void) const GridforceFullMainGridinlinevirtual
get_k1(void) const GridforceFullMainGridinlinevirtual
get_k2(void) const GridforceFullMainGridinlinevirtual
get_origin(void) const GridforceFullMainGridinlinevirtual
get_scale(void) const GridforceFullMainGridinlinevirtual
get_total_grids(void) const GridforceFullMainGridinlinevirtual
gridGridforceFullBaseGridprotected
grid_index(int i0, int i1, int i2) const GridforceFullBaseGridinlineprotected
GridforceFullBaseGrid classGridforceFullMainGridfriend
GridforceFullBaseGrid::GridforceFullBaseGrid(void)GridforceFullBaseGrid
GridforceFullMainGrid(int gridnum)GridforceFullMainGridexplicit
GridforceFullSubGrid classGridforceFullMainGridfriend
GridforceGrid()GridforceGridinlineprotected
GridforceGridType enum nameGridforceGrid
GridforceGridTypeFull enum valueGridforceGrid
GridforceGridTypeLite enum valueGridforceGrid
GridforceGridTypeUndefined enum valueGridforceGrid
initialize(char *potfilename, SimParameters *simParams, MGridforceParams *mgridParams, int border)GridforceFullMainGrid
initialize(char *potfilename, SimParameters *simParams, MGridforceParams *mgridParams)GridforceFullMainGridinlinevirtual
invGridforceFullBaseGridprotected
kGridforceFullBaseGridprotected
k_nopadGridforceFullBaseGridprotected
mygridnumGridforceGridprotected
n_sumGridforceFullBaseGridprotected
new_grid(int gridnum, char *potfilename, SimParameters *simParams, MGridforceParams *mgridParams)GridforceGridstatic
numSubgridsGridforceFullBaseGridprotected
offsetGridforceFullBaseGridprotected
originGridforceFullBaseGridprotected
p_sumGridforceFullBaseGridprotected
pack(MOStream *msg) const GridforceFullMainGridprotectedvirtual
pack_grid(GridforceGrid *grid, MOStream *msg)GridforceGridstatic
pad_nGridforceFullBaseGridprotected
pad_pGridforceFullBaseGridprotected
poten_fpGridforceFullBaseGridprotected
readHeader(SimParameters *simParams, MGridforceParams *mgridParams)GridforceFullBaseGridprotected
readSubgridHierarchy(FILE *poten, int &totalGrids)GridforceFullBaseGridprotected
reinitialize(SimParameters *simParams, MGridforceParams *mgridParams)GridforceFullMainGridvirtual
scaleGridforceFullBaseGridprotected
set_all_gridvals(float *all_gridvals, long int sz)GridforceFullMainGridprotectedvirtual
set_grid(int i0, int i1, int i2, float V)GridforceFullBaseGridinline
set_scale(Vector s)GridforceFullMainGridinlinevirtual
sizeGridforceFullBaseGridprotected
size_nopadGridforceFullBaseGridprotected
subgridsGridforceFullBaseGridprotected
subgrids_flatGridforceFullMainGridprotected
totalGridsGridforceFullMainGridprotected
typeGridforceGridprotected
unpack(MIStream *msg)GridforceFullMainGridprotectedvirtual
unpack_grid(int gridnum, MIStream *msg)GridforceGridstatic
wrap_position(const Position &pos, const Lattice &lattice)GridforceGridinline
~GridforceFullBaseGrid()GridforceFullBaseGridvirtual
~GridforceFullMainGrid()GridforceFullMainGridvirtual
~GridforceGrid()GridforceGridvirtual