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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/compute_improper_local.cpp
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@ -20,10 +20,12 @@
#include "domain.h"
#include "force.h"
#include "improper.h"
#include "math_const.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;
using namespace MathConst;
#define DELTA 10000
@ -129,8 +131,6 @@ int ComputeImproperLocal::compute_impropers(int flag)
}
}
double PI = 4.0*atan(1.0);
m = n = 0;
for (atom2 = 0; atom2 < nlocal; atom2++) {
if (!(mask[atom2] & groupbit)) continue;
@ -188,7 +188,7 @@ int ComputeImproperLocal::compute_impropers(int flag)
if (c > 1.0) c = 1.0;
if (c < -1.0) c = -1.0;
cbuf[n] = 180.0*acos(c)/PI;
cbuf[n] = 180.0*acos(c)/MY_PI;
}
n += nvalues;
}