biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅ next
Create and use SimulationInput module.
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdrun
/
CMakeLists.txt
2020-09-14
M. Eric Irrgang
Create and use SimulationInput module.
blob
|
commitdiff
|
raw
2020-09-07
M. Eric Irrgang
Replace filename-based initialization functions.
blob
|
commitdiff
|
raw
|
diff to current
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
blob
|
commitdiff
|
raw
|
diff to current
2020-06-26
ejjordan
Completely encapsulate membed logic in MembedHolder
blob
|
commitdiff
|
raw
|
diff to current
2020-06-26
M. Eric Irrgang
Implement SimulatorBuilder.build()
blob
|
commitdiff
|
raw
|
diff to current
2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2020-01-08
Roland Schulz
Merge release-2019 into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
blob
|
commitdiff
|
raw
|
diff to current
2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
blob
|
commitdiff
|
raw
|
diff to current
2019-09-24
Paul Bauer
Merge branch release-2019 into master
blob
|
commitdiff
|
raw
|
diff to current
2019-08-26
Paul Bauer
Remove installed headers from CMake
blob
|
commitdiff
|
raw
|
diff to current
2019-08-22
Mark Abraham
Merge branch release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-08-01
Paul Bauer
Merge release-2019 into master
blob
|
commitdiff
|
raw
|
diff to current
2019-07-31
Pascal Merz
Rename Simulator to LegacySimulator
blob
|
commitdiff
|
raw
|
diff to current
2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-05-25
Pascal Merz
Rename Integrator class
blob
|
commitdiff
|
raw
|
diff to current
2019-05-22
Mark Abraham
Move functionality to mdrunutility
blob
|
commitdiff
|
raw
|
diff to current
2019-04-17
Prashanth Kanduri
Move shellfc code to the mdrun module
blob
|
commitdiff
|
raw
|
diff to current
2019-04-10
Mark Abraham
Start making IMD and swap model IMDModule
blob
|
commitdiff
|
raw
|
diff to current
2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-01-23
Roland Schulz
Merge release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2018-10-15
Mark Abraham
De-duplicating mdrun setup
blob
|
commitdiff
|
raw
|
diff to current
2018-10-12
Viacheslav Bolnykh
Implemented QM/MM workflow inside core GROMACS
blob
|
commitdiff
|
raw
|
diff to current
2018-10-03
M. Eric Irrgang
Move mdrun mainFunction to client code.
blob
|
commitdiff
|
raw
|
diff to current
2018-09-25
Pascal Merz
Prepare rerun commit
blob
|
commitdiff
|
raw
|
diff to current
2018-09-13
Mark Abraham
Eliminate main.h
blob
|
commitdiff
|
raw
|
diff to current
2018-08-29
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-08-24
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-07-04
Roland Schulz
Merge release-2018 into master
blob
|
commitdiff
|
raw
|
diff to current
2018-05-03
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-04-13
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-04-05
Mark Abraham
Simplified handling of simulation runners
blob
|
commitdiff
|
raw
|
diff to current
2018-04-05
Mark Abraham
Create gromacs/mdrun module and move code there
blob
|
commitdiff
|
raw
|
diff to current
biod.pnpi.spb.ru / alexxy / gromacs.git / history