git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8720 f3b2605a-c512-4ea7-a41b-209d697bcdaa

This commit is contained in:
sjplimp
2012-08-27 15:46:57 +00:00
parent 2bd810fe8f
commit d38ac55fb0
2 changed files with 14 additions and 7 deletions

View File

@ -2361,10 +2361,19 @@ double FixRigid::compute_scalar()
void *FixRigid::extract(const char *str, int &dim)
{
dim=0;
if (strcmp(str,"body") == 0) {
dim = 1;
return body;
}
if (strcmp(str,"masstotal") == 0) {
dim = 1;
return masstotal;
}
if (strcmp(str,"t_target") == 0) {
dim = 0;
return &t_target;
}
return NULL;
}

View File

@ -26,10 +26,6 @@ namespace LAMMPS_NS {
class FixRigid : public Fix {
public:
// public so that granular pair styles can access them
int *body; // which body each atom is part of (-1 if none)
double *masstotal; // total mass of each rigid body
FixRigid(class LAMMPS *, int, char **);
virtual ~FixRigid();
virtual int setmask();
@ -74,6 +70,10 @@ class FixRigid : public Fix {
int *mol2body; // convert mol-ID to rigid body index
int maxmol; // size of mol2body = max mol-ID
int *body; // which body each atom is part of (-1 if none)
double **displace; // displacement of each atom in body coords
double *masstotal; // total mass of each rigid body
double **xcm; // coords of center-of-mass of each rigid body
double **vcm; // velocity of center-of-mass of each
double **fcm; // force on center-of-mass of each
@ -89,8 +89,6 @@ class FixRigid : public Fix {
double **tflag; // flag for on/off of center-of-mass torque
double **langextra; // Langevin thermostat forces and torques
double **displace; // displacement of each atom in body coords
double **sum,**all; // work vectors for each rigid body
int **remapflag; // PBC remap flags for each rigid body