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Remove unused thole polarization rfac parameter
[alexxy/gromacs.git]
/
src
/
gromacs
/
listed_forces
/
tests
/
2021-11-03
Joe Jordan
Remove unused thole polarization rfac parameter
tree
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commitdiff
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
tree
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commitdiff
2021-10-08
Sebastian Kehl
Adapt testcases for gapsys softcore
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commitdiff
2021-10-05
Sebastian Kehl
Rename sc-sigma-LJ-gapsys to sc-gapsys-sigma-LJ.
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commitdiff
2021-10-05
Sebastian Kehl
Rename sc-scale-X-gapsys to sc-gapsys-scale-X.
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commitdiff
2021-10-05
Sebastian Kehl
Fix random fpe errors by proper initialization.
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commitdiff
2021-10-05
Sebastian Kehl
Remove changes to the test cases.
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commitdiff
2021-10-05
Sebastian Kehl
Add gapsys softcore function.
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commitdiff
2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
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commitdiff
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
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commitdiff
2021-08-03
Mark Abraham
Update bundled GoogleTest to current HEAD
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commitdiff
2021-06-29
Paul Bauer
Merge branch release-2021 into master
tree
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commitdiff
2021-05-15
Paul Bauer
Use InheritParentConfig: true in clang-tidy files
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commitdiff
2021-05-11
Mark Abraham
Apply clang-format-11
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commitdiff
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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commitdiff
2021-05-03
ejjordan
Remove mdatoms from pairs in listed forces
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commitdiff
2021-04-20
ejjordan
clang-tidy-11 fixes for listed_forces
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commitdiff
2021-04-13
Kevin Boyd
Add basic position restraints test
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commitdiff
2021-04-12
Joe Jordan
Replace defines with constexpr in ishift
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commitdiff
2021-04-01
Sebastian Kehl
Add unit test for 1-4 interactions.
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commitdiff
2021-03-19
Joe Jordan
Use more arrayref in listed forces sigatures
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commitdiff
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
tree
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commitdiff
2021-02-19
ejjordan
Pass restraint data structures to bonded functions
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commitdiff
2021-02-12
Mark Abraham
Merge branch release-2021 into master
tree
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commitdiff
2021-02-03
Mark Abraham
Remove support for Intel classic compiler
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commitdiff
2021-01-29
Mark Abraham
Merge branch release-2021
tree
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commitdiff
2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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commitdiff
2020-12-18
Mark Abraham
Merge branch release-2021
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commitdiff
2020-12-16
M. Eric Irrgang
Apply re-formatting to C++ in src/ tree.
tree
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
tree
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commitdiff
2020-11-05
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
tree
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commitdiff
2020-10-29
Andrey Alekseenko
Narrow-down Intel-specific #ifdef's
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commitdiff
2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-10-14
Mark Abraham
Fix bonded tests
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commitdiff
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-09-02
Gilles Gouaillardet
Fix improved SIMD angles()
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commitdiff
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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commitdiff
2020-08-14
Berk Hess
Add SIMD bonded tests and improve SIMD angles()
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commitdiff
2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
tree
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commitdiff
2020-03-18
Berk Hess
Remove use of graph in do_force()
tree
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commitdiff
2020-03-06
Mark Abraham
Simplify compiling GPU code for tests
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commitdiff
2020-03-04
Paul Bauer
Merge branch release-2020 into master
tree
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commitdiff
2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
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commitdiff
2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
tree
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commitdiff
2020-01-09
Artem Zhmurov
Make PBC type enumeration into PbcType enum class
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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
2019-12-12
Mark Abraham
Merge "Merge branch 'origin/release-2020' into master"
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commitdiff
2019-12-12
Paul Bauer
Merge branch 'origin/release-2020' into master
tree
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commitdiff
2019-12-06
Mark Abraham
Provide more feedback when listed forces tests fail
tree
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commitdiff
2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
tree
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commitdiff
2019-11-21
Mark Abraham
Merge branch release-2020
tree
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commitdiff
2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
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commitdiff
2019-11-16
Mark Abraham
Relaxed listed forces test tolerances
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commitdiff
2019-11-13
Erik Lindahl
Updated physical constants to CODATA 2018
tree
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commitdiff
2019-11-07
Paul Bauer
Apply clang-format to source tree
tree
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commitdiff
2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
tree
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commitdiff
2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
tree
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commitdiff
2019-09-24
Paul Bauer
Merge branch release-2019 into master
tree
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commitdiff
2019-09-10
Paul Bauer
Fix nightly build
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commitdiff
2019-08-22
Mark Abraham
Merge branch release-2019
tree
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commitdiff
2019-08-20
Mark Abraham
Apply clang-tidy-8 readability-uppercase-literal-suffix
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commitdiff
2019-08-09
Berk Hess
Move bonded function table into bonded.cpp
tree
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commitdiff
2019-08-01
Paul Bauer
Merge release-2019 into master
tree
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commitdiff
2019-03-02
Mark Abraham
Merge branch release-2019
tree
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commitdiff
2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
tree
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commitdiff
2019-02-18
David van der Spoel
Precision fix for rescbt code.
tree
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commitdiff
2019-02-16
David van der Spoel
Tests of restrained listed potentials.
tree
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commitdiff
2019-02-11
David van der Spoel
Tests for polarization functions.
tree
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commitdiff
2019-02-08
David van der Spoel
Further increase of tolerance for angles.
tree
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commitdiff
2019-02-08
David van der Spoel
Increased tolerance for angle functions.
tree
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commitdiff
2019-02-08
David van der Spoel
Increase tolerance in Angle test.
tree
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commitdiff
2019-02-08
David van der Spoel
Tests for listed force potentials.
tree
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commitdiff
2019-02-02
Roland Schulz
Renamed listed-forces to listed_forces
tree
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commitdiff