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Add preprocessing and integration test for transformation coordinate
[alexxy/gromacs.git]
/
src
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gromacs
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gmxpreprocess
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tests
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readir.cpp
2021-10-27
Oliver Fleetwood
Add preprocessing and integration test for transformati...
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2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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2021-09-21
Berk Hess
Expanded the GetIrTest behavior to enable efficient...
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2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-06-29
Paul Bauer
Merge branch release-2021 into master
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-04-12
Mark Abraham
Improve docs and naming for MdModulesNotifiers
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2021-02-12
Mark Abraham
Merge branch release-2021 into master
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2021-01-29
Mark Abraham
Merge branch release-2021
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2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2020-12-18
Mark Abraham
Merge branch release-2021
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2020-12-16
M. Eric Irrgang
Apply re-formatting to C++ in src/ tree.
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2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-10-01
Berk Hess
Move computeSlowForces into stepWork
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2020-09-30
Paul Bauer
Update CI on 2020 branch
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-05-13
Paul Bauer
Fix check source error parsing
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-04-28
ejjordan
Fix issues with check-source
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2020-04-24
Paul Bauer
Fix parallel testing
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2020-04-23
Paul Bauer
Fix parallel testing
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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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2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
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2019-09-24
Mark Abraham
Merge "Merge branch release-2019 into master"
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2019-09-24
Paul Bauer
Merge branch release-2019 into master
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2019-09-23
Christian Blau
Grompp error for mismatching nst for energy calulation...
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2019-09-19
Christian Blau
Check input record also in tests
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2019-09-19
ejjordan
Remove or update comments containing 'group scheme'
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2019-08-28
Mark Abraham
Improved usability of grompp by rejecting more invalid...
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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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2019-04-10
Mark Abraham
Start making IMD and swap model IMDModule
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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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2018-10-09
Viacheslav Bolnykh
Implemented changes to preprocessor to work with MiMiC...
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2018-09-07
Roland Schulz
clang-tidy: override
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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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2018-08-18
Roland Schulz
clang-tidy: google tests applicable
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2018-08-18
Roland Schulz
Enable clang tidy/warnings for tests
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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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2018-03-28
Mark Abraham
Merge branch release-2018
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2018-03-20
Mark Abraham
Merge branch release-2016 into release-2018
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2018-03-06
Mark Abraham
Merge branch release-2018
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2018-02-27
Aleksei Iupinov
Merge branch 'release-2018'
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2018-02-26
Mark Abraham
Permit define .mdp field to assign values
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2018-02-16
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-16
Mark Abraham
Merge branch release-2018 into master
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2018-02-14
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-14
Aleksei Iupinov
Replace the remaining EXPECT_DEATH with EXPECT_DEATH_IF...
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2018-02-09
Mark Abraham
Merge branch release-2018
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2018-02-08
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-08
Aleksei Iupinov
Merge branch 'release-2018' into master
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2018-01-23
Mark Abraham
Remove support for implicit solvation
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2018-01-19
Aleksei Iupinov
Add a death test for the duplicate inputrec keys checking
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2018-01-19
Mark Abraham
Merge "Merge branch 'release-2018' into master"
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2018-01-19
Aleksei Iupinov
Make the reference data variables local in GetIrTest
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2018-01-09
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-22
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-20
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-12
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-04
Mark Abraham
Merge branch release-2016 into release-2018
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2017-11-03
Mark Abraham
Merge "Merge branch release-2016"
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2017-11-02
David van der Spoel
New mdp input for electric fields.
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2017-11-02
Mark Abraham
Merge branch release-2016
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2017-10-30
David van der Spoel
Fixed mdp output from electric field code.
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2017-10-20
Mark Abraham
Merge branch release-2016
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2017-10-16
Mark Abraham
Merge branch release-2016
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2017-09-17
Mark Abraham
Merge branch release-2016
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2017-09-12
Mark Abraham
Merge branch release-2016
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2017-09-12
Szilárd Páll
Merge branch 'release-2016'
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2017-08-22
Mark Abraham
Merge branch release-2016
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2017-06-28
Mark Abraham
Merge branch release-2016
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2017-06-27
Roland Schulz
Merge branch release-2016
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2017-05-09
Mark Abraham
Merge branch release-2016
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2017-03-31
Mark Abraham
Merge branch release-2016
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2017-03-14
Mark Abraham
Merge branch release-2016
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2017-03-13
Mark Abraham
Tests for grompp -f -po
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biod.pnpi.spb.ru / alexxy / gromacs.git / history