Make it possible to use FEP lambda states as a reaction coordinate in AWH. Atom masse...
[alexxy/gromacs.git] / src / gromacs / awh / awh.cpp
2020-08-20 Magnus LundborgMake it possible to use FEP lambda states as a reaction...
2020-07-15 Mark AbrahamDivide default communicator from DD communicators
2020-05-23 Artem ZhmurovRemove dependence on t_mdatoms from pull code
2020-05-06 Paul BauerMerge branch 'origin/release-2020' into master
2020-04-07 Pascal MerzRequire explicit MPI_COMM for gmx_bcast and gmx_barrier
2020-03-04 Paul BauerMerge branch release-2020 into master
2020-02-28 Paul BauerMerge branch release-2019 into release-2020
2020-01-28 Paul BauerMerge branch origin/release-2020 into master
2020-01-09 Artem ZhmurovMake PBC type enumeration into PbcType enum class
2020-01-08 Roland SchulzMerge release-2019 into release-2020
2019-12-27 Paul BauerMerge origin/release-2019 into release-2020
2019-11-29 Mark AbrahamMerge branch release-2019 into release-2020
2019-11-20 Paul BauerMerge 'origin/release-2019' into release-2020
2019-11-07 Paul BauerApply clang-format to source tree
2019-10-29 Paul BauerMerge branch 'release-2019' into master
2019-09-25 Szilárd PállMerge remote-tracking branch 'origin/release-2019'
2019-09-24 Paul BauerMerge branch release-2019 into master
2019-08-22 Mark AbrahamMerge branch release-2019
2019-08-20 Mark AbrahamFix issues for clang-analyzer-8
2019-08-01 Mark AbrahamMerge "Merge release-2019 into master"
2019-08-01 Paul BauerMerge release-2019 into master
2019-06-14 Paul BauerMerge branch release-2018 into release-2019
2019-05-22 Mark AbrahamMove functionality to mdrunutility
2019-04-15 Berk HessDisallow pull geometry direction-periodic with AWH
2019-03-02 Mark AbrahamMerge branch release-2019
2019-02-20 Paul BauerMerge branch 'release-2019' into master
2019-02-04 Roland SchulzRename all source files from - to _ for consistency.
2019-02-04 Roland SchulzReplace compat::make_unique with std::make_unique
2019-01-30 Mark AbrahamMerge remote branch release-2018 into release-2019
2019-01-23 Roland SchulzMerge release-2018 into release-2019
2018-12-31 Paul BauerMerge branch release-2018 into release-2019
2018-12-17 Paul BauerMerge branch release-2018 into release-2019
2018-11-21 Paul BauerMerge branch release-2018 into release-2019
2018-10-26 Mark AbrahamMerge branch release-2018 into release-2019
2018-08-29 Mark AbrahamMerge branch release-2018
2018-08-24 Mark AbrahamMerge branch release-2018
2018-08-18 Roland Schulzclang-tidy modernize
2018-08-08 Roland SchulzRemove gmx custom fixed int (e.g. gmx_int64_t) types
2018-07-04 Roland SchulzMerge release-2018 into master
2018-06-29 Roland Schulzclang-tidy: add modernize nullptr & emplace
2018-06-22 Mark AbrahamUpdate energy and trajectory frame types
2018-06-04 Mark AbrahamUpdate Awh initialization and lifetime management
2018-05-03 Mark AbrahamMerge branch release-2018
2018-04-13 Mark AbrahamMerge branch release-2018
2018-03-28 Mark AbrahamMerge branch release-2018
2018-03-20 Mark AbrahamMerge branch release-2016 into release-2018
2018-03-13 Mark AbrahamMerge "Merge branch release-2018"
2018-03-06 Mark AbrahamMerge branch release-2018
2018-03-02 Berk HessFix AWH bias-sharing with parallel simulation
2018-02-27 Aleksei IupinovMerge branch 'release-2018'
2018-02-16 Mark AbrahamMerge branch release-2016 into release-2018
2018-02-16 Mark AbrahamMerge branch release-2018 into master
2018-02-14 Mark AbrahamMerge branch release-2016 into release-2018
2018-02-13 Mark AbrahamSeparate multisim from commrec
2018-02-09 Mark AbrahamMerge branch release-2018
2018-02-08 Mark AbrahamMerge branch release-2016 into release-2018
2018-02-08 Aleksei IupinovMerge branch 'release-2018' into master
2018-01-30 Mark AbrahamReplace macros for multi-sim
2018-01-09 Mark AbrahamMerge branch release-2016 into release-2018
2017-12-22 Mark AbrahamMerge branch release-2016 into release-2018
2017-12-20 Mark AbrahamMerge branch release-2016 into release-2018
2017-12-12 Mark AbrahamMerge branch release-2016 into release-2018
2017-12-04 Mark AbrahamMerge branch release-2016 into release-2018
2017-11-21 Viveca LindahlAdd force correlation to AWH module
2017-11-20 Viveca LindahlAdd reading and writing to AWH module
2017-11-19 Viveca LindahlAdd AWH biasing module + tests