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change chi to chi0 in improper_cossq_omp.cpp

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Evangelos Voyiatzis
2025-02-10 19:00:21 +02:00
committed by GitHub
parent 5251ba1465
commit 7fe804d19d
1 changed files with 1 additions and 1 deletions
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src/OPENMP/improper_cossq_omp.cpp
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@ -134,7 +134,7 @@ void ImproperCossqOMP::eval(int nfrom, int nto, ThrData * const thr)
/* Calculate the angle: */ /* Calculate the angle: */
double torangle = acos(cosphi); double torangle = acos(cosphi);
cosphi = cos(torangle - chi[type]); cosphi = cos(torangle - chi0[type]);
if (EFLAG) eimproper = 0.5 * k[type] * cosphi * cosphi; if (EFLAG) eimproper = 0.5 * k[type] * cosphi * cosphi;