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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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5
src/compute_angle_local.cpp
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@ -20,10 +20,12 @@
#include "domain.h"
#include "force.h"
#include "angle.h"
#include "math_const.h"
#include "memory.h"
#include "error.h"
using namespace LAMMPS_NS;
using namespace MathConst;
#define DELTA 10000
@ -133,7 +135,6 @@ int ComputeAngleLocal::compute_angles(int flag)
}
Angle *angle = force->angle;
double PI = 4.0*atan(1.0);
m = n = 0;
for (atom2 = 0; atom2 < nlocal; atom2++) {
@ -170,7 +171,7 @@ int ComputeAngleLocal::compute_angles(int flag)
c /= r1*r2;
if (c > 1.0) c = 1.0;
if (c < -1.0) c = -1.0;
tbuf[n] = 180.0*acos(c)/PI;
tbuf[n] = 180.0*acos(c)/MY_PI;
}
if (eflag >= 0) {