Make AWH bias sharing more flexible
authorBerk Hess <hess@kth.se>
Tue, 5 Oct 2021 15:34:58 +0000 (15:34 +0000)
committerBerk Hess <hess@kth.se>
Tue, 5 Oct 2021 15:34:58 +0000 (15:34 +0000)
commitbbcd5f1e6c1ee8d23a8a122c2104ad85efc9888e
tree08dea4b8ece352667438852e4a034038d70b07d8
parentd6abe4915c39ec8487146b93a26fd90a61816697
Make AWH bias sharing more flexible
17 files changed:
docs/release-notes/2022/major/features.rst
docs/user-guide/mdp-options.rst
src/gromacs/applied_forces/awh/awh.cpp
src/gromacs/applied_forces/awh/awh.h
src/gromacs/applied_forces/awh/bias.cpp
src/gromacs/applied_forces/awh/bias.h
src/gromacs/applied_forces/awh/biassharing.cpp
src/gromacs/applied_forces/awh/biassharing.h
src/gromacs/applied_forces/awh/biasstate.cpp
src/gromacs/applied_forces/awh/biasstate.h
src/gromacs/applied_forces/awh/tests/CMakeLists.txt
src/gromacs/applied_forces/awh/tests/awh_setup.cpp
src/gromacs/applied_forces/awh/tests/awh_setup.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/biassharing.cpp [new file with mode: 0644]
src/gromacs/applied_forces/awh/tests/biasstate.cpp