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Remove group scheme search code
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdrun
/
rerun.cpp
2019-04-17
Berk Hess
Remove group scheme search code
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2019-04-17
Prashanth Kanduri
Move shellfc code to the mdrun module
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2019-04-16
Szilárd Páll
Move functions operating on enerdata out of force.cpp
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2019-04-10
Mark Abraham
Reform IMD module
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2019-04-03
Mark Abraham
Initial deactivation of group scheme.
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2019-04-02
Paul Bauer
Refactor gmx_group_t to SimulationAtomGroups
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2019-04-01
Mark Abraham
Move enerdata ownership to mdrunner
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2019-03-27
Prashanth Kanduri
Move stat function declarations to a new stat.h
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2019-03-20
Mark Abraham
Improve mimic module
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2019-03-07
Mark Abraham
Eliminate mdlib/mdrun.h
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2019-03-06
Mark Abraham
Revert "Eliminate mdlib/mdrun.h"
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2019-03-06
Mark Abraham
Eliminate mdlib/mdrun.h
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2019-03-02
Mark Abraham
Merge branch release-2019
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2019-02-25
Mark Abraham
Move code out of sim_util.cpp
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2019-02-20
Paul Bauer
Merge "Merge branch 'release-2019' into master"
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2019-02-20
Berk Hess
Refactor DLB region handling
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2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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2019-02-16
Berk Hess
Move nbnxn files to nbnxm directory
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2019-02-13
Mark Abraham
Make EnergyOutput wrapper class
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2019-02-09
Berk Hess
Disallow rerun with perturbed masses or constraints
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2019-02-04
Roland Schulz
Rename all source files from - to _ for consistency.
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2019-02-04
Roland Schulz
Replace compat::make_unique with std::make_unique
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2019-02-02
Roland Schulz
Renamed listed-forces to listed_forces
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2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
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2019-01-23
Roland Schulz
Merge release-2019 into master
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2019-01-23
Roland Schulz
Merge release-2018 into release-2019
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2019-01-22
Mark Abraham
Remove init_md and improve init_em
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2019-01-07
Kevin Boyd
Clean up ekind struct
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2019-01-04
Paul Bauer
Change gmx_localtop_t to C++
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2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-19
Paul Bauer
Merge "Merge release-2019 branch into master"
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2018-12-18
Szilárd Páll
Merge release-2019 branch into master
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2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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2018-11-22
Mark Abraham
Introduce PpForceWorkload
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2018-11-22
Mark Abraham
Merge "Merge branch 'release-2019'"
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2018-11-21
David van der Spoel
Merge branch 'release-2019'
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2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
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2018-11-20
Mark Abraham
Merge "Merge release-2019 into master"
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2018-11-16
Roland Schulz
Merge release-2019 into master
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2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
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2018-10-25
Mark Abraham
Introduce ArrayRefWithPadding
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2018-10-13
Viacheslav Bolnykh
Updated name of intemolecular exclusions function
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2018-10-13
Mark Abraham
Deprecate various functionality in GROMACS 2019
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2018-10-12
Viacheslav Bolnykh
Implemented QM/MM workflow inside core GROMACS
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2018-10-08
Mark Abraham
Implement PaddedVector
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2018-09-25
Pascal Merz
Remove unnecessary functionality from do_rerun
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2018-09-25
Pascal Merz
Prepare rerun commit
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