#include "largefiles.h"
#include <stdio.h>
#include <stdlib.h>
#include <string.h>
#include <ctype.h>
#include <math.h>
#include <float.h>
#include "molfile_plugin.h"
Go to the source code of this file.
Compounds | |
struct | lammpsdata |
Defines | |
#define | M_PI_2 1.57079632679489661922 |
Functions | |
char * | find_next_item (FILE *fd, char *szItem) |
int | find_item (FILE *fd, char *szItem) |
void * | open_lammps_read (const char *filename, const char *filetype, int *natoms) |
int | read_lammps_structure (void *mydata, int *optflags, molfile_atom_t *atoms) |
int | read_lammps_timestep (void *mydata, int natoms, molfile_timestep_t *ts) |
void | close_lammps_read (void *mydata) |
VMDPLUGIN_API int | VMDPLUGIN_init () |
VMDPLUGIN_API int | VMDPLUGIN_register (void *v, vmdplugin_register_cb cb) |
VMDPLUGIN_API int | VMDPLUGIN_fini () |
Variables | |
molfile_plugin_t | lammpsplugin |
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Definition at line 49 of file lammpspluginA.c. |
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Definition at line 271 of file lammpspluginA.c. References lammpsdata::file, lammpsdata::file_name, and lammpsdata::graphlist. |
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Definition at line 84 of file lammpspluginA.c. References find_next_item. Referenced by open_lammps_read, read_lammps_structure, and read_lammps_timestep. |
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Definition at line 59 of file lammpspluginA.c. Referenced by find_item. |
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Definition at line 94 of file lammpspluginA.c. References lammpsdata::file, lammpsdata::file_name, find_item, lammpsdata::graphlist, and lammpsdata::numatoms. |
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Definition at line 126 of file lammpspluginA.c. References molfile_atom_t::chain, lammpsdata::file, lammpsdata::file_name, find_item, MOLFILE_ERROR, MOLFILE_NOOPTIONS, molfile_atom_t::name, lammpsdata::numatoms, molfile_atom_t::resid, molfile_atom_t::resname, molfile_atom_t::segid, and molfile_atom_t::type. |
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Definition at line 179 of file lammpspluginA.c. References molfile_timestep_t::A, molfile_timestep_t::alpha, molfile_timestep_t::B, molfile_timestep_t::beta, molfile_timestep_t::C, molfile_timestep_t::coords, lammpsdata::file, lammpsdata::file_name, find_item, molfile_timestep_t::gamma, MOLFILE_ERROR, and MOLFILE_SUCCESS. |
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Definition at line 314 of file lammpspluginA.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS. |
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Definition at line 305 of file lammpspluginA.c. References VMDPLUGIN_API, and VMDPLUGIN_SUCCESS. |
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Definition at line 309 of file lammpspluginA.c. References VMDPLUGIN_API, vmdplugin_register_cb, and VMDPLUGIN_SUCCESS. |
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Initial value: { vmdplugin_ABIVERSION, MOLFILE_PLUGIN_TYPE, "lammpstrj", "LAMMPS Trajectory", "John E. Stone", 0, 3, VMDPLUGIN_THREADSAFE, "lammpstrj", open_lammps_read, read_lammps_structure, 0, read_lammps_timestep, close_lammps_read, 0, 0, 0, 0, 0, 0, 0, } Definition at line 281 of file lammpspluginA.c. |