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Refactor md_enums
[alexxy/gromacs.git]
/
src
/
gromacs
/
pulling
/
pull.cpp
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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2021-02-01
Mark Abraham
Replace gmx::Mutex with std::mutex
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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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2020-11-26
Berk Hess
Fix pull fatal error message
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2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-10-13
Joe Jordan
Fix segfault in pull reading
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2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-09-30
Berk Hess
Move computeSlowForces into stepWork
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-05-23
Artem Zhmurov
Remove dependence on t_mdatoms from pull code
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-04-07
Pascal Merz
Require explicit MPI_COMM for gmx_bcast and gmx_barrier
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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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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-09
Artem Zhmurov
Make PBC type enumeration into PbcType enum class
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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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diff to current
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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2019-12-11
Artem Zhmurov
Enable most of the pulling flavors with GPU update
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2019-11-30
Paul Bauer
Merge origin/release-2020 into master
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2019-11-29
Berk Hess
Merge "Merge branch release-2019 into release-2020...
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diff to current
2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
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2019-11-26
Berk Hess
Fix issues with AWH with periodic pulling
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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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2019-09-04
Christian Blau
Fix double overload in LocalAtomSet code when gmx:...
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-20
Mark Abraham
Apply clang-tidy-8 readability-uppercase-literal-suffix
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2019-08-01
Mark Abraham
Merge "Merge release-2019 into master"
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-07-29
Berk Hess
Fix segmentation fault with cosine pulling
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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-04-18
Mark Abraham
Move pull work struct out of inputrec
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2019-04-02
Paul Bauer
Refactor gmx_group_t to SimulationAtomGroups
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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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2019-02-07
Roland Schulz
Revert size to be unsigned for ArrayRef
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2019-02-07
Roland Schulz
Add ssize and remove static_casts
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2019-02-04
Roland Schulz
Replace compat::make_unique with std::make_unique
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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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diff to current
2019-01-23
Roland Schulz
Merge release-2018 into release-2019
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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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2018-12-19
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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2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-10
Paul Bauer
Use more const references in topology code
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2018-11-29
Magnus Lundborg
Make pull with COM from previous step work with MPI
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2018-11-26
Berk Hess
Fix FP exception in pull code
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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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2018-10-15
Magnus Lundborg
Enable output of average pull force and positions.
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2018-10-10
Berk Hess
Move pull output functions to output.cpp
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2018-10-03
Magnus Lundborg
Allow using COM of previous step as PBC reference
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2018-09-20
Berk Hess
Change pull buffers to std::vector
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2018-09-14
Roland Schulz
Warn for type mismatch for gmx printf like functions 3/3
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2018-09-09
Paul Bauer
Remove macro for group type in topology
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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 2/2
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2018-08-18
Roland Schulz
clang-tidy modernize
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2018-08-17
Berk Hess
Make pull pbc atom use LocalAtomSet
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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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2018-08-06
Roland Schulz
Change gmx_bool from int to bool
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2018-07-18
Berk Hess
Apply local atom sets in pull code
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2018-07-16
Roland Schulz
Warn for type mismatch for gmx printf like functions 1/3
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2018-07-11
Roland Schulz
Clang warnings
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2018-07-10
Roland Schulz
Clang warnings: unreachable
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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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2018-06-30
Roland Schulz
clang-tidy: misc-string-compare+perf-value-param
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2018-06-29
Roland Schulz
clang-tidy: add modernize nullptr & emplace
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2018-05-04
Mark Abraham
Merge "Merge branch release-2018"
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2018-05-04
Mark Abraham
More const correctness
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2018-05-03
Mark Abraham
Merge branch release-2018
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2018-04-24
Berk Hess
Fix indexing issue in the pull code
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2018-04-13
Mark Abraham
Merge branch release-2018
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diff to current
2018-04-03
Mark Abraham
Merge "Merge branch release-2018"
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2018-04-03
Berk Hess
Do not calculate COM for pull group 0
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2018-03-29
Berk Hess
Move file opening out of init_pull()
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2018-03-29
Berk Hess
Modularize pull_coord_work_t
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2018-03-28
Mark Abraham
Merge branch release-2018
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2018-03-20
Mark Abraham
Merge branch release-2016 into release-2018
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2018-03-15
Berk Hess
Fix virial with external pull potential and MPI
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biod.pnpi.spb.ru / alexxy / gromacs.git / history