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Throw on failure in gmx_file_rename
[alexxy/gromacs.git]
/
src
/
gromacs
/
mdlib
/
mdoutf.cpp
2021-10-27
Joe Jordan
Throw on failure in gmx_file_rename
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2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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2021-09-25
Berk Hess
Replace DOMAINDECOMP macro by a renamed function
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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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2021-06-07
Paul Bauer
Use enum class for checkpoint version
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2021-05-19
Joe Jordan
Clean up some headers in mdlib
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-05-04
Paul Bauer
Use correct size for force vector in mdoutf
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2021-04-14
Paul Bauer
Modernize wallcycle counting
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2021-04-12
Mark Abraham
Improve docs and naming for MdModulesNotifiers
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2021-03-19
Paul Bauer
Bulk change to const ref for mtop
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2021-03-15
Dmitry Moskalchuk
Fix build for Folding@home
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2021-02-23
Pascal Merz
Fix multi-sim checkpoint writing bug
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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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2021-02-04
Mark Abraham
Ensure no UB in writing forces
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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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2020-10-20
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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2020-09-29
Artem Zhmurov
Don't use fah_fsync
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2020-09-23
Pascal Merz
Access write checkpoint functionality directly
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2020-09-06
Pascal Merz
Prepare legacy checkpoint for modular simulator checkpo...
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2020-09-03
Pascal Merz
Make dd_collect_vec independent of t_state
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-08-27
Berk Hess
Add ForceBuffers class
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2020-07-31
Mark Abraham
Move code to prepare for multisim class
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2020-07-15
Mark Abraham
Divide default communicator from DD communicators
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-04-06
Pascal Merz
Make global topology constant in mdoutf
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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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2020-02-25
Magnus Lundborg
Fix out of sync checkpoint files in simulations sharing...
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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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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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2019-12-19
ejjordan
Change some domdec data members to RVec or IVec
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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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2019-09-01
Christian Blau
Add checkpointing for MdModules
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2019-08-22
Mark Abraham
Merge branch release-2019
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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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2019-05-25
Pascal Merz
Remove dependence of mdoutf_write_to_trajectory_files...
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2019-05-22
Mark Abraham
Introduce tri-state enums for restarts
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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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2019-02-11
Roland Schulz
Remove EmptyArrayRef
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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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2019-01-02
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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2018-12-26
Kevin Boyd
Fix small leaks in do_md cleanup
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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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2018-11-21
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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2018-10-08
Mark Abraham
Implement PaddedVector
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2018-09-28
Mark Abraham
Make some symbols in gmxpre-config.h always defined
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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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2018-08-08
Roland Schulz
Remove gmx custom fixed int (e.g. gmx_int64_t) types
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2018-07-04
Roland Schulz
Merge release-2018 into master
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2018-06-04
Magnus Lundborg
Write lambdas and box to TNG at correct intervals
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2018-05-23
Berk Hess
Split off collect.cpp from domdec.cpp
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2018-05-03
Mark Abraham
Merge branch release-2018
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2018-04-13
Mark Abraham
Merge branch release-2018
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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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2018-03-13
Mark Abraham
Add more const to uses of t_commrec and t_inputrec
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2018-03-06
Mark Abraham
Merge branch release-2018
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2018-02-27
Aleksei Iupinov
Merge branch 'release-2018'
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2018-02-16
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-16
Mark Abraham
Merge branch release-2018 into master
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2018-02-14
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-09
Mark Abraham
Merge branch release-2018
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2018-02-08
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-08
Aleksei Iupinov
Merge branch 'release-2018' into master
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2018-02-06
Aleksei Iupinov
Remove unnecessary includes from domdec.h
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