Searched refs:coverDiameter (Results 1 – 8 of 8) sorted by relevance
| /dports/science/gromacs/gromacs-2021.4/src/gromacs/applied_forces/awh/tests/ |
| H A D | biasstate.cpp | 94 awhDimParams0.coverDiameter = 0; in getAwhTestParameters()
104 awhDimParams1.coverDiameter = 0; in getAwhTestParameters()
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| H A D | bias_fep_lambda_state.cpp | 105 awhDimParams.coverDiameter = 0; in getAwhFepLambdaTestParameters()
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| H A D | bias.cpp | 103 awhDimParams.coverDiameter = 0; in getAwhTestParameters()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/mdtypes/ |
| H A D | awh_params.h | 123 …double coverDiameter; /**< The diameter that needs to be sampled around a point before it is consi… member
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| H A D | inputrec.cpp | 643 PR("cover-diameter", awhDimParams->coverDiameter); in pr_awh_bias_dim()
1138 cmp_double(fp, "inputrec->awhParams->bias?->dim->coverDiameter", dimIndex, dimp1->coverDiameter, in cmp_awhDimParams()
1139 dimp2->coverDiameter, ftol, abstol); in cmp_awhDimParams()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/applied_forces/awh/ |
| H A D | read_params.cpp | 394 dimParams->coverDiameter = get_ereal(inp, opt, 0, wi); in readDimParams()
446 double coverDiameter = awhBiasParams.dimParams[d].coverDiameter; in checkInputConsistencyAwhBias() local
447 if (awhBiasParams.shareGroup <= 0 && coverDiameter > 0) in checkInputConsistencyAwhBias()
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| H A D | biasparams.cpp | 262 double coverRadiusInNm = 0.5 * awhBiasParams.dimParams[d].coverDiameter; in BiasParams()
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| /dports/science/gromacs/gromacs-2021.4/src/gromacs/fileio/ |
| H A D | tpxio.cpp | 699 serializer->doDouble(&dimParams->coverDiameter); in do_awhBias()
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