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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8377 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-06-21 23:30:04 +00:00
parent 87fe07030b
commit 45f8666346
2 changed files with 667 additions and 481 deletions
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1139
src/fix_rigid.cpp
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9
src/fix_rigid.h
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@ -59,8 +59,15 @@ class FixRigid : public Fix {
int triclinic;
double MINUSPI,TWOPI;
int rstyle; // SINGLE,MOLECULE,GROUP
int firstflag; // 1 for first-time setup of rigid bodies
char *infile; // file to read rigid body attributes from
int nbody; // # of rigid bodies
int *nrigid; // # of atoms in each rigid body
int *mol2body; // convert mol-ID to rigid body index
int maxmol; // size of mol2body = max mol-ID
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
@ -115,6 +122,8 @@ class FixRigid : public Fix {
void no_squish_rotate(int, double *, double *, double *, double);
void set_xv();
void set_v();
void setup_bodies();
void readfile(int, double *, double **, int *);
};
}