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Fix previous submission of nan problem

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This commit is contained in:
lucienPan
2019-11-08 16:22:57 -05:00
parent 29b2dc7043
commit e5933ecc4a
1 changed files with 2 additions and 2 deletions
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4
src/CLASS2/dihedral_class2.cpp
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@ -182,8 +182,8 @@ void DihedralClass2::compute(int eflag, int vflag)
costh23 = (vb2xm*vb3x + vb2ym*vb3y + vb2zm*vb3z) * r12c2;
costh12 = MAX(MIN(costh12, 1.0), -1.0);
costh13 = MAX(MIN(costh12, 1.0), -1.0);
costh23 = MAX(MIN(costh12, 1.0), -1.0);
costh13 = MAX(MIN(costh13, 1.0), -1.0);
costh23 = MAX(MIN(costh23, 1.0), -1.0);
c0 = costh13;
// cos and sin of 2 angles and final c