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Add second LINCS atom update task
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
lincs.cpp
2021-11-02
Berk Hess
Add second LINCS atom update task
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2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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2021-09-27
Mark Abraham
Use ObservablesReducer for LINCS RMSD computation
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2021-09-25
Berk Hess
Replace DOMAINDECOMP macro by a renamed function
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2021-09-16
Artem Zhmurov
Miscellaneous doxygen fixes
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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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2021-05-11
Mark Abraham
Apply clang-format-11
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-04-21
Joe Jordan
Rename some enum names in ModuleMultiThread
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2021-04-20
Joe Jordan
Use enum class for gmx_omp_nthreads
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2021-03-25
Joe Jordan
Use ArrayRef in signatures of constraints and some...
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2021-03-09
Joe Jordan
Use constexpr for physical constants and move them...
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2021-02-28
Joe Jordan
Use more const ref in domdec API
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2021-02-22
Paul Bauer
Refactor md_enums
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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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2020-11-05
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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2020-10-26
Artem Zhmurov
Clear constraints RMSD values upon domains reset
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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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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-07-15
Mark Abraham
Divide default communicator from DD communicators
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2020-05-22
Artem Zhmurov
Remove dependence of constraints on t_mdatoms
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-03-05
Berk Hess
Add InteractionDefinitions
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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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diff to current
2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-20
Berk Hess
Use ArrayRef(WithPadding) in constraint code
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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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2019-12-22
Berk Hess
Use ListOfLists for atom to constraint mapping
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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
Paul Bauer
Merge branch release-2019 into master
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2019-09-05
Pascal Merz
Make do_constrain_first() independent of t_state
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-21
Mark Abraham
Improve organization of LINCS reporting
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2019-08-20
Mark Abraham
Fix issues for clang-analyzer-8
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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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2019-05-22
Mark Abraham
Move functionality to mdrunutility
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2019-03-28
Roland Schulz
Fix UB vector usage
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2019-03-07
Mark Abraham
Eliminate mdlib/mdrun.h
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2019-03-06
Mark Abraham
Revert "Eliminate mdlib/mdrun.h"
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2019-03-06
Mark Abraham
Eliminate mdlib/mdrun.h
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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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2019-02-04
Roland Schulz
Rename all source files from - to _ for consistency.
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2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
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2019-01-25
Berk Hess
Fix LINCS bug from recent commit 211039fc
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2019-01-23
Roland Schulz
Merge release-2019 into master
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diff to current
2019-01-23
Roland Schulz
Merge release-2018 into release-2019
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2019-01-02
Szilárd Páll
Fix clang 6 warning
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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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2018-12-27
Szilárd Páll
Use std::swap in LINCS
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2018-12-27
Berk Hess
Use AtomPair for LINCS indexing
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2018-12-27
Berk Hess
Use arrayref in LINCS
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2018-12-19
Paul Bauer
Merge "Merge release-2019 branch into master"
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2018-12-18
Szilárd Páll
Merge release-2019 branch into master
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2018-12-18
Berk Hess
Use std::vector in LINCS
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2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-14
Berk Hess
Fixed nullptr derefence in LINCS error
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2018-12-14
Berk Hess
Fix LINCS triangle constraining with OpenMP
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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
Roland Schulz
Fix MSAN errors
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2018-10-08
Berk Hess
Enable update groups
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2018-10-05
Mark Abraham
Change to test TSAN with clang and libomp
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2018-10-04
Berk Hess
Make AVX2 pass TSAN
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2018-09-14
Berk Hess
Change gmx_moltype_t.ilist to InteractionLists
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2018-09-14
Roland Schulz
Warn for type mismatch for gmx printf like functions 3/3
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2018-09-13
Berk Hess
Add C++ version of t_ilist
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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
readability-implicit-bool-conversion 1/2
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2018-08-18
Roland Schulz
clang-tidy modernize
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2018-08-18
Roland Schulz
clang-tidy: google tests applicable
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2018-08-12
Roland Schulz
3/3 of old-style casting
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2018-08-08
Roland Schulz
Remove gmx custom fixed int (e.g. gmx_int64_t) types
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2018-07-16
Roland Schulz
Warn for type mismatch for gmx printf like functions 1/3
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2018-07-14
Roland Schulz
MSVC: enable code analysis
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2018-07-04
Roland Schulz
Merge release-2018 into master
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2018-07-01
Roland Schulz
clang-tidy: readability-non-const-parameter (2/2)
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2018-06-29
Berk Hess
Convert gmx_domdec_constraints_t to C++
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2018-06-28
Roland Schulz
Clang-tidy: enable further tests
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