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Update fix_cmap.cpp

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alphataubio
2024-10-05 17:03:50 -04:00
parent a8157fc68e
commit af03836dfa
1 changed files with 0 additions and 2 deletions
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src/MOLECULE/fix_cmap.cpp
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@ -415,8 +415,6 @@ void FixCMAP::post_force(int vflag)
r43 = sqrt(vb43x*vb43x + vb43y*vb43y + vb43z*vb43z);
a2sq = a2x*a2x + a2y*a2y + a2z*a2z;
b2sq = b2x*b2x + b2y*b2y + b2z*b2z;
//if (a1sq<0.0001 || b1sq<0.0001 || a2sq<0.0001 || b2sq<0.0001)
// printf("a1sq b1sq a2sq b2sq: %f %f %f %f \n",a1sq,b1sq,a2sq,b2sq);
if (a1sq<0.0001 || b1sq<0.0001 || a2sq<0.0001 || b2sq<0.0001) continue;
dpr21r32 = vb21x*vb32x + vb21y*vb32y + vb21z*vb32z;
dpr34r32 = vb34x*vb32x + vb34y*vb32y + vb34z*vb32z;