atomes 1.1.14
atomes: an atomic scale modeling tool box
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Functions to save force field information in the atomes project file format. More...
Go to the source code of this file.
Functions | |
int | save_field_atom (FILE *fp) |
save field atom data to file | |
int | save_field_shell (FILE *fp) |
save field core shell data to file | |
int | save_field_constraint (FILE *fp) |
save field constraint data to file | |
int | save_field_pmf (FILE *fp) |
save field mean force potential data to file | |
int | save_field_rigid (FILE *fp) |
save field rigid constraints data to file | |
int | save_field_tethered (FILE *fp, int fid) |
save field tethered data to file | |
int | save_field_prop (FILE *fp, int fid, int pid) |
save field property data to file | |
int | save_field_struct (FILE *fp, int fid) |
save field structural properties to file | |
int | save_field_molecule (FILE *fp, int fid) |
save field molecule data to file | |
int | save_field_body (FILE *fp, int fid) |
save field nth body data to file | |
int | save_field_external (FILE *fp, int fid) |
save field external data to file | |
int | save_dlp_field_data (FILE *fp, project *this_proj) |
save force field data to file | |
int | save_lmp_field_data (FILE *fp, project *this_proj) |
save LAMMPS force field data to file | |
Functions to save force field information in the atomes project file format.
Definition in file save_field.c.
int save_dlp_field_data | ( | FILE * | fp, |
project * | this_proj ) |
save force field data to file
fp | the file pointer |
this_proj | the target project |
Definition at line 411 of file save_field.c.
int save_field_atom | ( | FILE * | fp | ) |
save field atom data to file
fp | the file pointer |
Definition at line 96 of file save_field.c.
int save_field_body | ( | FILE * | fp, |
int | fid ) |
save field nth body data to file
fp | the file pointer |
fid | the field id |
Definition at line 365 of file save_field.c.
int save_field_constraint | ( | FILE * | fp | ) |
save field constraint data to file
fp | the file pointer |
Definition at line 143 of file save_field.c.
int save_field_external | ( | FILE * | fp, |
int | fid ) |
save field external data to file
fp | the file pointer |
fid | the field id |
Definition at line 393 of file save_field.c.
int save_field_molecule | ( | FILE * | fp, |
int | fid ) |
save field molecule data to file
fp | the file pointer |
fid | the field id |
Definition at line 285 of file save_field.c.
int save_field_pmf | ( | FILE * | fp | ) |
save field mean force potential data to file
fp | the file pointer |
Definition at line 161 of file save_field.c.
int save_field_prop | ( | FILE * | fp, |
int | fid, | ||
int | pid ) |
save field property data to file
fp | the file pointer |
fid | the field id |
pid | the property id |
Definition at line 225 of file save_field.c.
int save_field_rigid | ( | FILE * | fp | ) |
save field rigid constraints data to file
fp | the file pointer |
Definition at line 186 of file save_field.c.
int save_field_shell | ( | FILE * | fp | ) |
save field core shell data to file
fp | the file pointer |
Definition at line 122 of file save_field.c.
int save_field_struct | ( | FILE * | fp, |
int | fid ) |
save field structural properties to file
fp | the file pointer |
fid | the field id |
Definition at line 247 of file save_field.c.
int save_field_tethered | ( | FILE * | fp, |
int | fid ) |
save field tethered data to file
fp | the file pointer |
fid |
Definition at line 204 of file save_field.c.
int save_lmp_field_data | ( | FILE * | fp, |
project * | this_proj ) |
save LAMMPS force field data to file
fp | the file pointer |
this_proj | the target project |
Definition at line 492 of file save_field.c.