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Searched refs:skipUpdates (Results 1 – 6 of 6) sorted by relevance

/dports/science/gromacs/gromacs-2021.4/src/gromacs/applied_forces/awh/
H A Dbiasparams.h101 inline bool skipUpdates() const { return (!disableUpdateSkips_ && localWeightScaling == 1); } in skipUpdates() function
H A Dbias.cpp99 if (params_.skipUpdates()) in doSkippedUpdatesForAllPoints()
142 if (params_.skipUpdates()) in calcForceAndUpdateBias()
H A Dpointstate.h264 GMX_ASSERT(params.skipUpdates(), in performPreviouslySkippedUpdates()
H A Dbiasstate.cpp622 GMX_ASSERT(params.skipUpdates(), in getSkippedUpdateHistogramScaleFactors()
1174 …if (needToUpdateTargetDistribution || detectedCovering || !params.skipUpdates() || needToNormalize… in updateFreeEnergyAndAddSamplesToHistogram()
1190 if (params.skipUpdates()) in updateFreeEnergyAndAddSamplesToHistogram()
1205 if (params.skipUpdates()) in updateFreeEnergyAndAddSamplesToHistogram()
/dports/science/gromacs/gromacs-2021.4/src/gromacs/applied_forces/awh/tests/
H A Dbias_fep_lambda_state.cpp202 … props.push_back(formatString("skip updates: %s", bias.params().skipUpdates() ? "yes" : "no")); in TEST_P()
238 if (bias.params().skipUpdates()) in TEST_P()
H A Dbias.cpp218 … props.push_back(formatString("skip updates: %s", bias.params().skipUpdates() ? "yes" : "no")); in TEST_P()
247 if (bias.params().skipUpdates()) in TEST_P()