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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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src/MOLECULE/improper_harmonic.cpp
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@ -22,10 +22,12 @@
#include "domain.h"
#include "force.h"
#include "update.h"
#include "math_const.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;
using namespace MathConst;
#define TOLERANCE 0.05
#define SMALL 0.001
@ -248,7 +250,7 @@ void ImproperHarmonic::coeff(int narg, char **arg)
int count = 0;
for (int i = ilo; i <= ihi; i++) {
k[i] = k_one;
chi[i] = chi_one/180.0 * PI;
chi[i] = chi_one/180.0 * MY_PI;
setflag[i] = 1;
count++;
}