AWH avoid constructors only differing in parameter types
authorMagnus Lundborg <magnus.lundborg@scilifelab.se>
Mon, 21 Sep 2020 09:07:13 +0000 (09:07 +0000)
committerPaul Bauer <paul.bauer.q@gmail.com>
Mon, 21 Sep 2020 09:07:13 +0000 (09:07 +0000)
commit054bf288188e3df2b295e2302c2848820bee444b
tree40fdb69837bd1bb546520e2201b20eeacc2c4ab4
parentb216933babd4f350830f55523f354f81d8728a0d
AWH avoid constructors only differing in parameter types

Also clarified a function name in the tests.
Tests had to be updated since the force constant (now removed)
should not have been used before at all.
19 files changed:
src/gromacs/applied_forces/awh/awh.cpp
src/gromacs/applied_forces/awh/bias.cpp
src/gromacs/applied_forces/awh/bias.h
src/gromacs/applied_forces/awh/biasgrid.cpp
src/gromacs/applied_forces/awh/biasparams.cpp
src/gromacs/applied_forces/awh/biasstate.cpp
src/gromacs/applied_forces/awh/dimparams.h
src/gromacs/applied_forces/awh/tests/bias.cpp
src/gromacs/applied_forces/awh/tests/bias_fep_lambda_state.cpp
src/gromacs/applied_forces/awh/tests/biasgrid.cpp
src/gromacs/applied_forces/awh/tests/biasstate.cpp
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_0.xml
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_1.xml
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_2.xml
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_3.xml
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_4.xml
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_5.xml
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_6.xml
src/gromacs/applied_forces/awh/tests/refdata/WithParameters_BiasFepLambdaStateTest_ForcesBiasPmf_7.xml