atomes 1.1.14
atomes: an atomic scale modeling tool box
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Functions to save molecules information in the atomes project file format. More...
Go to the source code of this file.
Functions | |
int | save_atom_m (FILE *fp, project *this_proj, int s, int a) |
save atom data to file | |
int | save_this_mol (FILE *fp, project *this_proj, molecule *tmp) |
save this molecule data to file | |
int | save_mol (FILE *fp, project *this_proj) |
save molecule information to file | |
Functions to save molecules information in the atomes project file format.
Definition in file save_mol.c.
int save_atom_m | ( | FILE * | fp, |
project * | this_proj, | ||
int | s, | ||
int | a ) |
save atom data to file
fp | the file pointer |
this_proj | the target project |
s | the MD step |
a | the atom number |
Definition at line 70 of file save_mol.c.
int save_mol | ( | FILE * | fp, |
project * | this_proj ) |
save molecule information to file
fp | the file pointer |
this_proj | the target project |
Definition at line 106 of file save_mol.c.
save this molecule data to file
fp | the file pointer |
this_proj | the target project |
tmp | the molecule that contains the data |
Definition at line 86 of file save_mol.c.