atomes 1.1.14
atomes: an atomic scale modeling tool box
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Functions to read DLPOLY force field data in the atomes project file format. More...
Go to the source code of this file.
Functions | |
int | read_field_atom (FILE *fp) |
read field atom properties from file | |
int | read_field_shell (FILE *fp) |
read field core shell data from file | |
int | read_field_constraint (FILE *fp) |
read field constraint data from file | |
int | read_field_pmf (FILE *fp) |
read field mean force potential data from file | |
int | read_field_rigid (FILE *fp) |
read field rigid constraints data from file | |
int | read_field_tethered (FILE *fp, int fid) |
read field tethered data from file | |
int | read_field_prop (FILE *fp, int fid, int pid) |
read field property from file | |
int | read_field_struct (FILE *fp, int fid) |
read field structural properties from file | |
int | read_field_molecule (FILE *fp, int fid) |
read field molecule from file | |
int | read_field_body (FILE *fp, int fid) |
read field nth body data from file | |
int | read_field_external (FILE *fp, int fid) |
read field external data from file | |
int | read_dlp_field_data (FILE *fp, project *this_proj) |
read force field data from file | |
int | read_lmp_field_data (FILE *fp, project *this_proj) |
read LAMMPS field data from file | |
Functions to read DLPOLY force field data in the atomes project file format.
Definition in file read_field.c.
int read_dlp_field_data | ( | FILE * | fp, |
project * | this_proj ) |
read force field data from file
fp | the file pointer |
this_proj | the target project |
Definition at line 460 of file read_field.c.
int read_field_atom | ( | FILE * | fp | ) |
read field atom properties from file
fp | the file pointer |
Definition at line 60 of file read_field.c.
int read_field_body | ( | FILE * | fp, |
int | fid ) |
read field nth body data from file
fp | the file pointer |
fid | the field id |
Definition at line 402 of file read_field.c.
int read_field_constraint | ( | FILE * | fp | ) |
read field constraint data from file
fp | the file pointer |
Definition at line 111 of file read_field.c.
int read_field_external | ( | FILE * | fp, |
int | fid ) |
read field external data from file
fp | the file pointer |
fid | the field id |
Definition at line 441 of file read_field.c.
int read_field_molecule | ( | FILE * | fp, |
int | fid ) |
read field molecule from file
fp | the file pointer |
fid | the field id |
Definition at line 259 of file read_field.c.
int read_field_pmf | ( | FILE * | fp | ) |
read field mean force potential data from file
fp | the file pointer |
Definition at line 129 of file read_field.c.
int read_field_prop | ( | FILE * | fp, |
int | fid, | ||
int | pid ) |
read field property from file
fp | the file pointer |
fid | the field id |
pid | the property id |
Definition at line 196 of file read_field.c.
int read_field_rigid | ( | FILE * | fp | ) |
read field rigid constraints data from file
fp | the file pointer |
Definition at line 155 of file read_field.c.
int read_field_shell | ( | FILE * | fp | ) |
read field core shell data from file
fp | the file pointer |
Definition at line 90 of file read_field.c.
int read_field_struct | ( | FILE * | fp, |
int | fid ) |
read field structural properties from file
fp | the file pointer |
fid | the field id |
Definition at line 220 of file read_field.c.
int read_field_tethered | ( | FILE * | fp, |
int | fid ) |
read field tethered data from file
fp | the file pointer |
fid | the field id |
Definition at line 174 of file read_field.c.
int read_lmp_field_data | ( | FILE * | fp, |
project * | this_proj ) |
read LAMMPS field data from file
fp | the file pointer |
this_proj | the target project |
Definition at line 579 of file read_field.c.