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Fix no-virial support -> LAMMPSvirial in pair_kim

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This commit is contained in:
Ryan S. Elliott
2018-07-02 21:48:47 -05:00
parent 5bdc295331
commit 0fbc6bebf5
1 changed files with 5 additions and 1 deletions
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6
src/KIM/pair_kim.cpp
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@ -958,9 +958,13 @@ void PairKIM::set_kim_model_has_flags()
error->warning(FLERR,"KIM Model does not provide `partialForce'; "
"Forces will be zero");
if (kim_model_support_for_virial == notSupported)
if ((no_virial_fdotr_compute == 1) &&
(kim_model_support_for_virial == notSupported))
{
error->warning(FLERR,"KIM Model does not provide `partialVirial'. "
"pair_kim now using `LAMMPSvirial' option.");
no_virial_fdotr_compute = 0;
}
if (kim_model_support_for_particleEnergy == notSupported)
error->warning(FLERR,"KIM Model does not provide `partialParticleEnergy'; "