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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7133 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-10-20 00:11:49 +00:00
parent 55b951bed0
commit f90ce18f3d
83 changed files with 293 additions and 271 deletions
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6
src/atom_vec_ellipsoid.cpp
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@ -25,10 +25,12 @@
#include "domain.h"
#include "modify.h"
#include "fix.h"
#include "math_const.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;
using namespace MathConst;
#define DELTA 10000
#define DELTA_BONUS 10000
@ -53,8 +55,6 @@ AtomVecEllipsoid::AtomVecEllipsoid(LAMMPS *lmp, int narg, char **arg) :
atom->ellipsoid_flag = 1;
atom->rmass_flag = atom->angmom_flag = atom->torque_flag = 1;
PI = 4.0*atan(1.0);
nlocal_bonus = nghost_bonus = nmax_bonus = 0;
bonus = NULL;
}
@ -1200,7 +1200,7 @@ void AtomVecEllipsoid::data_atom_bonus(int m, char **values)
// reset ellipsoid mass
// previously stored density in rmass
rmass[m] *= 4.0*PI/3.0 * shape[0]*shape[1]*shape[2];
rmass[m] *= 4.0*MY_PI/3.0 * shape[0]*shape[1]*shape[2];
bonus[nlocal_bonus].ilocal = m;
ellipsoid[m] = nlocal_bonus++;