Introduce explicit parameters for gapsys-sc.
authorSebastian Kehl <sebastian.kehl@mpcdf.mpg.de>
Thu, 23 Sep 2021 13:31:11 +0000 (15:31 +0200)
committerMagnus Lundborg <magnus.lundborg@scilifelab.se>
Tue, 5 Oct 2021 11:38:46 +0000 (11:38 +0000)
commite6ef503126b61c7c5b06a0f6966484a85512cef1
tree873079656cea06084f3a8d95bce29d0f929676a1
parent236163204e50c9c80173bcfe31675e971f7b7c20
Introduce explicit parameters for gapsys-sc.
17 files changed:
src/gromacs/fileio/tpxio.cpp
src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp
src/gromacs/gmxpreprocess/readir.cpp
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsDefineParametersWithValuesIncludingAssignment.xml
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricField.xml
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldOscillating.xml
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsElectricFieldPulsed.xml
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsEmptyLines.xml
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsImplicitSolventNo.xml
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsKeyWithoutValue.xml
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_AcceptsMimic.xml
src/gromacs/gmxpreprocess/tests/refdata/GetIrTest_HandlesDifferentKindsOfMdpLines.xml
src/gromacs/listed_forces/pairs.cpp
src/gromacs/mdtypes/inputrec.cpp
src/gromacs/mdtypes/inputrec.h
src/gromacs/mdtypes/interaction_const.cpp
src/gromacs/mdtypes/interaction_const.h