biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅ next
Add lambda state to dhdl.xvg with AWH fep
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
energyoutput.h
2021-10-21
Berk Hess
Add lambda state to dhdl.xvg with AWH fep
blob
|
commitdiff
|
raw
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
blob
|
commitdiff
|
raw
|
diff to current
2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
blob
|
commitdiff
|
raw
|
diff to current
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
blob
|
commitdiff
|
raw
|
diff to current
2021-06-29
Paul Bauer
Merge branch release-2021 into master
blob
|
commitdiff
|
raw
|
diff to current
2021-05-24
Mark Abraham
Remove GMX_CONSTRVIR
blob
|
commitdiff
|
raw
|
diff to current
2021-05-19
Joe Jordan
Clean up some headers in mdlib
blob
|
commitdiff
|
raw
|
diff to current
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
blob
|
commitdiff
|
raw
|
diff to current
2021-04-27
Joe Jordan
Constructor for t_mde_delta_h_coll
blob
|
commitdiff
|
raw
|
diff to current
2021-04-12
Mark Abraham
Improve docs and naming for MdModulesNotifiers
blob
|
commitdiff
|
raw
|
diff to current
2021-04-12
ejjordan
Constructor for gmx_ekindata_t
blob
|
commitdiff
|
raw
|
diff to current
2021-03-25
Joe Jordan
Use more vectors for EnergyOutput private members
blob
|
commitdiff
|
raw
|
diff to current
2021-03-19
Joe Jordan
Make non bonded energy terms enum class
blob
|
commitdiff
|
raw
|
diff to current
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
blob
|
commitdiff
|
raw
|
diff to current
2021-03-01
Joe Jordan
Use const ref for mtop and inputrec in EnergyOutput...
blob
|
commitdiff
|
raw
|
diff to current
2021-02-12
Mark Abraham
Merge branch release-2021 into master
blob
|
commitdiff
|
raw
|
diff to current
2021-02-09
Pascal Merz
Make temperature and pressure coupling enums enum classes
blob
|
commitdiff
|
raw
|
diff to current
2021-01-29
Mark Abraham
Merge branch release-2021
blob
|
commitdiff
|
raw
|
diff to current
2021-01-27
Pascal Merz
Remove constant acceleration groups
blob
|
commitdiff
|
raw
|
diff to current
2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
blob
|
commitdiff
|
raw
|
diff to current
2021-01-07
Pascal Merz
Add trivial const qualifiers for inputrec
blob
|
commitdiff
|
raw
|
diff to current
2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
blob
|
commitdiff
|
raw
|
diff to current
2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
blob
|
commitdiff
|
raw
|
diff to current
2020-11-09
Berk Hess
Move implementation to cpp file
blob
|
commitdiff
|
raw
|
diff to current
2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
blob
|
commitdiff
|
raw
|
diff to current
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
blob
|
commitdiff
|
raw
|
diff to current
2020-09-07
Pascal Merz
Make EnergyOutput::addDataAtEnergyStep independent...
blob
|
commitdiff
|
raw
|
diff to current
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
blob
|
commitdiff
|
raw
|
diff to current
2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
blob
|
commitdiff
|
raw
|
diff to current
2020-04-08
Mark Abraham
Fixes for clang-tidy-9
blob
|
commitdiff
|
raw
|
diff to current
2020-04-07
Pascal Merz
Make global topology constant in energyOutput.printAnne...
blob
|
commitdiff
|
raw
|
diff to current
2020-03-04
Paul Bauer
Merge branch release-2020 into master
blob
|
commitdiff
|
raw
|
diff to current
2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
blob
|
commitdiff
|
raw
|
diff to current
2020-01-08
Roland Schulz
Merge release-2019 into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2020-01-07
Paul Bauer
Merge branch origin/release-2020 into master
blob
|
commitdiff
|
raw
|
diff to current
2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
blob
|
commitdiff
|
raw
|
diff to current
2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2019-12-19
Berk Hess
Fix mdrun appending invalidating energy files
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
2019-11-07
Paul Bauer
Apply clang-format to source tree
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
2019-09-10
Pascal Merz
Add trivial const qualifiers to shellfc and EnergyOutput
blob
|
commitdiff
|
raw
|
diff to current
2019-09-06
Christian Blau
Adding energy output field for density fitting
blob
|
commitdiff
|
raw
|
diff to current
2019-08-22
Mark Abraham
Merge branch release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-08-05
Pascal Merz
Add trivial const qualifier to energy output
blob
|
commitdiff
|
raw
|
diff to current
2019-08-01
Paul Bauer
Merge release-2019 into master
blob
|
commitdiff
|
raw
|
diff to current
2019-05-24
Artem Zhmurov
Clarify the EnergyOutput III
blob
|
commitdiff
|
raw
|
diff to current
2019-05-24
Artem Zhmurov
Clarify the EnergyOutput II
blob
|
commitdiff
|
raw
|
diff to current
2019-04-18
Mark Abraham
Move pull work struct out of inputrec
blob
|
commitdiff
|
raw
|
diff to current
2019-04-02
Paul Bauer
Refactor gmx_group_t to SimulationAtomGroups
blob
|
commitdiff
|
raw
|
diff to current
2019-03-02
Mark Abraham
Merge branch release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
blob
|
commitdiff
|
raw
|
diff to current
2019-02-13
Mark Abraham
Make EnergyOutput wrapper class
blob
|
commitdiff
|
raw
|
diff to current
biod.pnpi.spb.ru / alexxy / gromacs.git / history