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Reimplement constant acceleration groups
[alexxy/gromacs.git]
/
src
/
programs
/
mdrun
/
tests
/
CMakeLists.txt
2021-10-29
Berk Hess
Reimplement constant acceleration groups
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2021-10-22
Mark Abraham
Add utility dependency to libmdrun_test_infrastructure
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2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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2021-10-11
Alan Gray
Bug fix for irregular replex steps with GPU update
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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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2021-06-30
Berk Hess
Port basic pull test to gtest framework
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2021-06-29
Paul Bauer
Merge branch release-2021 into master
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2021-05-11
Artem Zhmurov
Name the MDRun FEP test binary consistently
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2021-02-25
Pascal Merz
Increase multsim test flexibility, test multisim + DD
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2021-02-17
Pascal Merz
Introduce test checking freeze groups
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2021-02-16
Pascal Merz
Introduce virtual sites test
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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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2020-12-11
Pascal Merz
Fix trx frame reading from modular simulator checkpoint...
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2020-12-02
Pascal Merz
Separate simulator comparison tests
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2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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2020-11-13
M. Eric Irrgang
Provide a catch-all target for library modules.
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2020-11-05
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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2020-11-04
M. Eric Irrgang
Establish `api/` as the home for installed headers.
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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
Paul Bauer
Break up MPI tests
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2020-09-30
Pascal Merz
Regression-test-style Google tests for FEP
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2020-09-30
Berk Hess
Move computeSlowForces into stepWork
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2020-09-28
Berk Hess
Fix dispersion correction table generation
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2020-09-22
Mark Abraham
Split mdrun-test
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2020-09-16
Paul Bauer
Break off some tests from mdrun tests
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2020-09-15
Paul Bauer
Break off some tests from mdrun tests
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-06-23
Pascal Merz
Refactor simulator comparison tests
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-04-29
M. Eric Irrgang
Apply more granular CTest time-out policy.
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2020-03-13
Berk Hess
Add tests for Ewald surface terms
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2020-03-06
Mark Abraham
Simplify compiling GPU code for tests
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2020-03-05
Christian Blau
Split off implementation details of MdModuleNotification
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2020-03-04
Paul Bauer
Merge "Merge branch release-2020 into master"
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2020-03-04
Paul Bauer
Merge branch release-2020 into master
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2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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2020-02-20
David van der Spoel
Fixed bug in orires code that was checking too strict.
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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-15
Paul Bauer
Allow access to optional outside libgromacs
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2020-01-09
Mark Abraham
Split lines with many copyright years
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2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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2020-01-07
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
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2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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2019-12-23
Paul Bauer
Revert "Fix that tests intended for multiple ranks...
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2019-12-17
Paul Bauer
Test parallel mpi only with openmp
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2019-12-17
Mark Abraham
Fix that tests intended for multiple ranks run that way
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2019-12-12
Pascal Merz
Test for expected output files
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2019-12-12
Mark Abraham
Merge "Merge branch 'origin/release-2020' into master"
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2019-12-11
Paul Bauer
Test parallel mpi only with openmp
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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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2019-10-31
Mark Abraham
Tests for valid periodic actions
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2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
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2019-10-04
Mark Abraham
Fix that tests intended for multiple ranks run that way
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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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2019-09-13
Berk Hess
Add nbnxm kernel benchmark tool
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2019-09-12
Berk Hess
Enable TPI with the Verlet cut-off scheme
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2019-09-11
Christian Blau
End to end test for density fitting
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2019-08-27
Mark Abraham
Add integration tests for exact restarts
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-08
Christian Blau
Provide callbacks/notifications for MDModules
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2019-08-06
M. Eric Irrgang
Convert test infrastructure targets to static library...
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2019-08-05
Pascal Merz
Added Simulator comparison test
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2019-08-01
Mark Abraham
Manage compiler flags and some include options per...
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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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2019-04-30
Mark Abraham
Test the output of "gmx mdrun help"
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2019-03-02
Mark Abraham
Merge branch release-2019
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2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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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-2019 into master
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2019-01-23
Roland Schulz
Merge release-2018 into release-2019
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2019-01-17
David van der Spoel
Moved one regressiontest to core gromacs.
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2019-01-14
Mark Abraham
Migrate TPI testing to Verlet scheme
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2019-01-02
Mark Abraham
Merge branch release-2019
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2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-31
David van der Spoel
Moved generic simulationdatabase code to testutils.
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2018-12-18
Szilárd Páll
Merge release-2019 branch into master
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2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-13
Roland Schulz
Remove unused MdrunComparisonFixture
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2018-12-05
David van der Spoel
Added new testing code for normal mode analysis.
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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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2018-10-12
Viacheslav Bolnykh
Implemented QM/MM workflow inside core GROMACS
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2018-10-08
Mark Abraham
Implement PaddedVector
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2018-10-03
Mark Abraham
Add end-to-end tests of energy minimization
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2018-10-02
Mark Abraham
Reduce mdrun tests using group scheme
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2018-09-21
Szilárd Páll
Bump test timeout only for OpenCL integration tests
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2018-09-07
Mark Abraham
Separate simulation database used in tests
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2018-08-29
Mark Abraham
Merge branch release-2018
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biod.pnpi.spb.ru / alexxy / gromacs.git / history