#include <molfile_plugin.h>
Public Attributes | |
float * | coords |
float * | velocities |
double | physical_time |
float | A |
float | B |
float | C |
float | alpha |
float | beta |
float | gamma |
Definition at line 238 of file molfile_plugin.h.
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Unit cell specification of the form A, B, C, alpha, beta, gamma. notes: A, B, C are side lengths of the unit cell alpha = angle between b and c beta = angle between a and c gamma = angle between a and b Definition at line 251 of file molfile_plugin.h. Referenced by convert_vmd_box_for_writing, convert_vmd_box_shape_to_tng, DEN_POT_WFK_read_next_timestep, GEO_read_next_timestep, read_amber_cdf_timestep, read_car_timestep, read_crd_timestep, read_cube_timestep, read_g96_timestep, read_gro_timestep, read_hoomd_structure, read_hoomd_timestep, read_js_timestep, read_lammps_timestep, read_mmtk_cdf_timestep, read_next_timestep, read_pqr_timestep, read_rst_timestep, read_tinker_timestep, read_tng_timestep, read_trr_timestep, read_xsf_timestep, vasp_timestep_unitcell, vtf_read_next_timestep, write_cryst1, write_js_timestep, write_lammps_timestep, write_pqr_cryst1, write_rst_timestep, write_timestep, write_trr_timestep, write_vaspposcar_timestep, and xml_new_tag. |
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Unit cell specification of the form A, B, C, alpha, beta, gamma. notes: A, B, C are side lengths of the unit cell alpha = angle between b and c beta = angle between a and c gamma = angle between a and b Definition at line 251 of file molfile_plugin.h. Referenced by convert_vmd_box_for_writing, convert_vmd_box_shape_to_tng, DEN_POT_WFK_read_next_timestep, GEO_read_next_timestep, read_amber_cdf_timestep, read_car_timestep, read_crd_timestep, read_cube_timestep, read_g96_timestep, read_gro_timestep, read_hoomd_structure, read_hoomd_timestep, read_js_timestep, read_lammps_timestep, read_mmtk_cdf_timestep, read_next_timestep, read_pqr_timestep, read_rst_timestep, read_tinker_timestep, read_tng_timestep, read_trr_timestep, read_xsf_timestep, vasp_timestep_unitcell, vtf_read_next_timestep, write_cryst1, write_js_timestep, write_lammps_timestep, write_pqr_cryst1, write_rst_timestep, write_timestep, write_trr_timestep, write_vaspposcar_timestep, and xml_new_tag. |
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Unit cell specification of the form A, B, C, alpha, beta, gamma. notes: A, B, C are side lengths of the unit cell alpha = angle between b and c beta = angle between a and c gamma = angle between a and b Definition at line 251 of file molfile_plugin.h. Referenced by convert_vmd_box_for_writing, convert_vmd_box_shape_to_tng, DEN_POT_WFK_read_next_timestep, GEO_read_next_timestep, read_amber_cdf_timestep, read_car_timestep, read_crd_timestep, read_cube_timestep, read_g96_timestep, read_gro_timestep, read_hoomd_structure, read_hoomd_timestep, read_js_timestep, read_lammps_timestep, read_mmtk_cdf_timestep, read_next_timestep, read_pqr_timestep, read_rst_timestep, read_tinker_timestep, read_tng_timestep, read_trr_timestep, read_xsf_timestep, vasp_timestep_unitcell, vtf_read_next_timestep, write_cryst1, write_js_timestep, write_lammps_timestep, write_pqr_cryst1, write_rst_timestep, write_timestep, write_trr_timestep, write_vaspposcar_timestep, and xml_new_tag. |
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physical time point associated with this frame Definition at line 254 of file molfile_plugin.h. Referenced by LMPlugin::read_timestep, read_tng_timestep, vtf_read_next_timestep, write_gro_timestep, write_hoomd_timestep, write_rst_timestep, write_tng_timestep, and xml_new_tag. |
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NULL unless has_velocities is set Definition at line 240 of file molfile_plugin.h. Referenced by close_hoomd_read, main, read_hoomd_structure, read_hoomd_timestep, read_lammps_timestep, read_rst_timestep, read_tng_timestep, vtf_read_next_timestep, write_gro_timestep, write_hoomd_timestep, write_rst_timestep, write_tng_timestep, and xml_data_block. |