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Commit adeb4277 authored by mkirsz's avatar mkirsz
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one less computation

parent 0871db3a
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1 merge request!17Fix bug when reading stress with vaspreader. Added T to structure and adjusted...
Pipeline #49885 passed
Pipeline: Tadah.MLIP

#49888

    ......@@ -153,8 +153,8 @@ stress_force_predict(const StDescriptors &std, Structure &st_)
    const force_type fij = fpredict(fdij,aedi);
    const force_type fji = fpredict(fdji,aedj);
    v += fpredict(fdij,aedi);
    v -= fpredict(fdji,aedj);
    v += fij;
    v -= fji;
    for (size_t x=0; x<3; ++x) {
    for (size_t y=x; y<3; ++y) {
    ......
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