| 30 |
|
int dipole_flag; /* print the dipole moments (default=off). */ |
| 31 |
|
int water_flag; /* skip the the waters (default=off). */ |
| 32 |
|
int periodicBox_flag; /* map to the periodic box (default=off). */ |
| 33 |
< |
int replace_flag; /* replace the atom types of zconstraint molecules (default=off). */ |
| 33 |
> |
int zconstraint_flag; /* replace the atom types of zconstraint molecules (default=off). */ |
| 34 |
> |
int rigidbody_flag; /* add a pseudo COM atom to rigidbody (default=off). */ |
| 35 |
> |
int watertype_flag; /* replace the atom type of water model (default=on). */ |
| 36 |
|
char ** ignore_arg; /* ignore the atom types. */ |
| 37 |
|
int repeatX_arg; /* The number of images to repeat in the x direction (default='0'). */ |
| 38 |
|
int repeatY_arg; /* The number of images to repeat in the y direction (default='0'). */ |
| 46 |
|
int dipole_given ; /* Whether dipole was given. */ |
| 47 |
|
int water_given ; /* Whether water was given. */ |
| 48 |
|
int periodicBox_given ; /* Whether periodicBox was given. */ |
| 49 |
< |
int replace_given ; /* Whether replace was given. */ |
| 49 |
> |
int zconstraint_given ; /* Whether zconstraint was given. */ |
| 50 |
> |
int rigidbody_given ; /* Whether rigidbody was given. */ |
| 51 |
> |
int watertype_given ; /* Whether watertype was given. */ |
| 52 |
|
int ignore_given ; /* Whether ignore was given. */ |
| 53 |
|
int repeatX_given ; /* Whether repeatX was given. */ |
| 54 |
|
int repeatY_given ; /* Whether repeatY was given. */ |
