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SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git]
/
src
/
gromacs
/
applied_forces
/
awh
/
2021-11-03
Andrey Alekseenko
Fix random typos
tree
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commitdiff
2021-10-21
Berk Hess
Add lambda state to dhdl.xvg with AWH fep
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commitdiff
2021-10-21
Berk Hess
Improve AWH bias sharing documentation
tree
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commitdiff
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
tree
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commitdiff
2021-10-11
Berk Hess
Fix issues in AWH BiasSharing test
tree
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commitdiff
2021-10-06
Andrey Alekseenko
Fix misc-misplaced-const and unused-parameter warnings
tree
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commitdiff
2021-10-05
Berk Hess
Make AWH bias sharing more flexible
tree
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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
tree
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commitdiff
2021-06-29
Paul Bauer
Merge branch release-2021 into master
tree
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commitdiff
2021-06-03
Berk Hess
Minor pull code cleanup
tree
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commitdiff
2021-05-27
Berk Hess
Add AWH references
tree
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commitdiff
2021-05-15
Paul Bauer
Use InheritParentConfig: true in clang-tidy files
tree
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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
tree
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commitdiff
2021-04-30
Christoph Junghans
fix build on F34
tree
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commitdiff
2021-04-26
Artem Zhmurov
Clang-11 fixes for applied forces
tree
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commitdiff
2021-04-19
Artem Zhmurov
Make XDR type into enum class
tree
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commitdiff
2021-04-16
Paul Bauer
Fix AWH input reading
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commitdiff
2021-04-14
Paul Bauer
Modernize wallcycle counting
tree
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commitdiff
2021-03-31
Berk Hess
Use EnumerationArray for pull isAngleType
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commitdiff
2021-03-25
Joe Jordan
Use ArrayRef in signatures of constraints and some...
tree
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commitdiff
2021-03-15
Paul Bauer
Move M_PI definition to math/units.h
tree
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commitdiff
2021-03-11
Artem Zhmurov
Fix clang-tidy failures in AWH tests
tree
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commitdiff
2021-03-10
Paul Bauer
Make AWH parameters proper C++
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commitdiff
2021-03-10
Paul Bauer
Change vector references to Arrayref in AWH
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commitdiff
2021-03-09
ejjordan
Move radian-angle conversions to math/utility
tree
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commitdiff
2021-03-09
Joe Jordan
Use constexpr for physical constants and move them...
tree
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commitdiff
2021-03-08
ejjordan
Remove includes from math/utilities that are not needed...
tree
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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
2021-03-04
Paul Bauer
Modernize AWH enumerations
tree
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commitdiff
2021-03-02
Magnus Lundborg
Disable awh-potential=convolved when using AWH with...
tree
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commitdiff
2021-02-26
Magnus Lundborg
Introduce a check (in grompp) that AWH FEP sampling...
tree
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commitdiff
2021-02-22
Paul Bauer
Refactor md_enums
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commitdiff
2021-02-12
Mark Abraham
Merge branch release-2021 into master
tree
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commitdiff
2021-01-29
Mark Abraham
Merge branch release-2021
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commitdiff
2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
tree
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commitdiff
2020-12-18
Mark Abraham
Merge branch release-2021
tree
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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-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
2020-11-03
Magnus Lundborg
Remove TODO regarding AWH cover threshold along lambda...
tree
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commitdiff
2020-10-28
Berk Hess
Correct AWH initial histogram size
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commitdiff
2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
tree
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commitdiff
2020-10-16
Magnus Lundborg
When loading AWH user data do not convolve the bias...
tree
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commitdiff
2020-10-13
Joe Jordan
Fix segfault in pull reading
tree
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commitdiff
2020-10-09
Berk Hess
Add MTS support for pull and AWH
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commitdiff
2020-10-09
Magnus Lundborg
AWH: Remove random term from FEP tests
tree
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commitdiff
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-10-05
Paul Bauer
Fix doxygen warnings
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commitdiff
2020-09-21
Magnus Lundborg
AWH avoid constructors only differing in parameter...
tree
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commitdiff
2020-09-08
Paul Bauer
Move densityfitting to its own directory
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commitdiff