atomes 1.1.14
atomes: an atomic scale modeling tool box
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Functions to read NPT data. More...
#include "global.h"
#include "bind.h"
#include "interface.h"
#include "project.h"
#include <ctype.h>
#include "cbuild_edit.h"
Go to the source code of this file.
Data Structures | |
struct | cell_file |
Typedefs | |
typedef struct cell_file | cell_file |
Functions | |
void | add_cell_info (gchar *info) |
append information message to the cell information | |
int | cell_get_lattice (int format) |
get the lattice parameters format from the file | |
int | open_cell_file (int format, gchar *filename) |
open the file that contains the cell parameters | |
Variables | |
FILE * | cellp |
cell_file * | this_cell |
Functions to read NPT data.
Definition in file read_npt.c.
typedef struct cell_file cell_file |
Definition at line 54 of file read_npt.c.
void add_cell_info | ( | gchar * | info | ) |
append information message to the cell information
info | the cell information message |
Definition at line 70 of file read_npt.c.
int cell_get_lattice | ( | int | format | ) |
get the lattice parameters format from the file
format | File format |
Definition at line 82 of file read_npt.c.
int open_cell_file | ( | int | format, |
gchar * | filename ) |
open the file that contains the cell parameters
format | File format |
filename | File name |
Definition at line 232 of file read_npt.c.
FILE* cellp |
Definition at line 52 of file read_npt.c.
cell_file* this_cell |
Definition at line 61 of file read_npt.c.