atomes 1.1.14
atomes: an atomic scale modeling tool box
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Functions to read molecule(s) data in the atomes project file format. More...
Go to the source code of this file.
Functions | |
void | duplicate_molecule (molecule *new_mol, molecule *old_mol) |
int | read_atom_m (FILE *fp, int s, int a) |
read atom fragment and molecule data | |
int | read_this_mol (FILE *fp, molecule *tmp) |
read molecule data | |
int | read_mol (FILE *fp) |
read molecule(s) information from file | |
Functions to read molecule(s) data in the atomes project file format.
Definition in file read_mol.c.
int read_atom_m | ( | FILE * | fp, |
int | s, | ||
int | a ) |
read atom fragment and molecule data
fp | the file pointer |
s | the MD step |
a | the atom number |
Definition at line 55 of file read_mol.c.
int read_mol | ( | FILE * | fp | ) |
read molecule(s) information from file
fp | the file pointer |
Definition at line 92 of file read_mol.c.
int read_this_mol | ( | FILE * | fp, |
molecule * | tmp ) |
read molecule data
fp | the file pointer |
tmp | the molecule to store the data |
Definition at line 70 of file read_mol.c.