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Create and use SimulationInput module.
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdrun
/
runner.h
2020-09-14
M. Eric Irrgang
Create and use SimulationInput module.
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-06-19
M. Eric Irrgang
Remove workaround for gcc bug 58265.
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2020-05-19
Paul Bauer
Remove unnecessary includes of arrayref.h
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2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
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2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
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2019-11-07
Paul Bauer
Apply clang-format to source tree
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2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
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2019-10-01
Mark Abraham
Removed dependency on commrec of mdrun setup
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2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
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2019-09-24
Paul Bauer
Merge branch release-2019 into master
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2019-09-19
Paul Bauer
Add basic interface to run update on GPU
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2019-09-11
Mark Abraham
Make gmx_multisim_t a C++ object
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2019-09-10
Mark Abraham
Use more RAII semantics with t_commrec
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2019-08-23
Mark Abraham
Update clang-tidy to clang version 8
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-05-22
Mark Abraham
Rewrite starting behavior
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2019-05-22
Mark Abraham
Introduce tri-state enums for restarts
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2019-04-10
Mark Abraham
Start making IMD and swap model IMDModule
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2019-04-01
Mark Abraham
Move MDModules initialization earlier
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2019-03-28
Mark Abraham
Move DomdecOptions into its own header
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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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2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
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2019-01-23
Roland Schulz
Merge release-2018 into release-2019
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2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
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2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
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2018-10-16
Mark Abraham
Task assignment for bonded interactions on CUDA GPUs
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2018-10-15
M. Eric Irrgang
Preparation for de-duplicating mdrun setup
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2018-10-14
M. Eric Irrgang
Allow API access to simulation signals.
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2018-10-12
M. Eric Irrgang
Add restraints framework.
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2018-10-11
Mark Abraham
Open mdrun log file only once
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2018-10-03
M. Eric Irrgang
Combine private sections of Mdrunner definition.
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2018-10-03
M. Eric Irrgang
Move mdrun mainFunction to client code.
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2018-09-28
Mark Abraham
Use more default initialization of mdrun structs
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2018-09-14
M. Eric Irrgang
Rearrange mdrun/runner.h
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2018-09-13
Mark Abraham
Eliminate main.h
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2018-08-29
Mark Abraham
Merge branch release-2018
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2018-08-24
Mark Abraham
Merge branch release-2018
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2018-07-04
Roland Schulz
Merge release-2018 into master
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2018-05-03
Mark Abraham
Merge branch release-2018
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2018-04-13
Mark Abraham
Merge branch release-2018
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2018-04-05
Mark Abraham
Create gromacs/mdrun module and move code there
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