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SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git]
/
src
/
testutils
/
simulationdatabase
/
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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commitdiff
2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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commitdiff
2021-08-25
Carsten Kutzner
Add back original index file content that was accidenta...
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commitdiff
2021-08-20
Mark Abraham
Add tests for gmx chi
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commitdiff
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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commitdiff
2021-06-30
Berk Hess
Port basic pull test to gtest framework
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commitdiff
2021-06-29
Paul Bauer
Merge branch release-2021 into master
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commitdiff
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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commitdiff
2021-03-16
Kevin Boyd
Migrate gmx msd to the trajectoryanalysis framework
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commitdiff
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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commitdiff
2021-02-17
Pascal Merz
Introduce test checking freeze groups
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commitdiff
2021-02-16
Pascal Merz
Introduce virtual sites test
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commitdiff
2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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commitdiff
2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-10-09
Paul Bauer
Remove under the hood editing of pdb files
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commitdiff
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-09-30
Pascal Merz
Regression-test-style Google tests for FEP
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commitdiff
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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commitdiff
2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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commitdiff
2020-04-03
M. Eric Irrgang
Prune change-management.rst and update links.
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commitdiff
2020-03-13
Berk Hess
Add tests for Ewald surface terms
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commitdiff
2020-03-04
Paul Bauer
Merge "Merge branch release-2020 into master"
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commitdiff
2020-03-04
Paul Bauer
Merge branch release-2020 into master
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commitdiff
2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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commitdiff
2020-02-20
David van der Spoel
Fixed bug in orires code that was checking too strict.
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commitdiff
2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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commitdiff
2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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commitdiff
2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
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commitdiff
2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
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commitdiff
2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
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commitdiff
2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
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commitdiff
2019-09-24
Paul Bauer
Merge branch release-2019 into master
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commitdiff
2019-09-11
Christian Blau
End to end test for density fitting
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commitdiff
2019-09-04
Christian Blau
Read mrc file using file name
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commitdiff
2019-08-22
Mark Abraham
Merge branch release-2019
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commitdiff
2019-08-01
Mark Abraham
Merge "Merge release-2019 into master"
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commitdiff
2019-08-01
Paul Bauer
Merge release-2019 into master
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commitdiff
2019-07-31
Berk Hess
Add grompp warning with use of GROMOS FF
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commitdiff
2019-07-31
Berk Hess
Remove need for GROMOS FF in test
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commitdiff
2019-07-03
Kevin Boyd
Move more tools out of gmxana
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commitdiff
2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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commitdiff
2019-04-10
Mark Abraham
Reform IMD module
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commitdiff
2019-03-11
Berk Hess
Add grompp warning with use of GROMOS FF
tree
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commitdiff
2019-03-02
Mark Abraham
Merge branch release-2019
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commitdiff
2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
tree
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commitdiff
2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
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commitdiff
2019-01-23
Roland Schulz
Merge release-2019 into master
tree
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commitdiff
2019-01-23
Roland Schulz
Merge release-2018 into release-2019
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commitdiff
2019-01-18
Kevin Boyd
Add tests for gmx mindist
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commitdiff
2019-01-17
David van der Spoel
Moved one regressiontest to core gromacs.
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commitdiff
2019-01-14
David van der Spoel
MSD tests for the -mol option.
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commitdiff
2019-01-02
Mark Abraham
Merge branch release-2019
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commitdiff
2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
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commitdiff
2018-12-30
David van der Spoel
Moved input files for tests to simulation database.
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commitdiff
2018-12-30
David van der Spoel
Implemented native normal mode analysis tests.
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commitdiff
2018-12-18
Szilárd Páll
Merge release-2019 branch into master
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commitdiff
2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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commitdiff
2018-12-05
David van der Spoel
Added new testing code for normal mode analysis.
tree
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commitdiff
2018-11-22
Mark Abraham
Merge "Merge branch 'release-2019'"
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commitdiff
2018-11-21
David van der Spoel
Merge branch 'release-2019'
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commitdiff
2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
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commitdiff
2018-11-20
Mark Abraham
Merge "Merge release-2019 into master"
tree
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commitdiff
2018-11-16
Roland Schulz
Merge release-2019 into master
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commitdiff
2018-11-15
Paul Bauer
Rework GMXAPI tests
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commitdiff
2018-11-07
Paul Bauer
Add global directory for simulation test inputs
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