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SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git]
/
src
/
gromacs
/
fileio
/
checkpoint.cpp
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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2021-09-22
Pascal Merz
Introduce expanded ensemble in modular simulator
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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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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-04-22
Joe Jordan
Vectors in history_t
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2021-04-19
Artem Zhmurov
Make Compartment, Channel, ChannelHistory and Domaint...
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2021-04-19
Artem Zhmurov
Make XDR type into enum class
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2021-04-17
Mark Abraham
Rename files to follow style
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2021-04-12
Mark Abraham
Improve docs and naming for MdModulesNotifiers
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2021-03-31
Mark Abraham
Make EnumerationArray::size() not static
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2021-02-24
Paul Bauer
Rework state checkpoint enum handling
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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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2021-01-20
Mark Abraham
Describe the configured precision correctly for mdrun
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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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2020-12-11
Pascal Merz
Fix trx frame reading from modular simulator checkpoint...
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2020-12-09
Pascal Merz
Fix dump of checkpoint files
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2020-12-05
Pascal Merz
Clarify checkpoint mismatch error, and enable in release
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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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2020-09-16
Pascal Merz
Implement modular checkpointing
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2020-09-06
Pascal Merz
Prepare legacy checkpoint for modular simulator checkpo...
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-08-10
Christian Blau
Move density fitting checkpointing into state
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2020-07-31
Mark Abraham
Move code to prepare for multisim class
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2020-07-09
Pascal Merz
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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2020-04-29
Artem Zhmurov
Fix the number of steps check when checkpoint is loaded
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2020-04-21
Mark Abraham
Fix warnings with clang 9
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2020-04-20
Artem Zhmurov
Fix the number of steps check when checkpoint is loaded
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2020-04-14
Pascal Merz
Make bonded interaction checking more robust (modular...
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2020-04-08
Mark Abraham
Fixes for clang-tidy-9
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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 "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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2020-02-18
Christian Blau
Split MdModuleNotifications into topics
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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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2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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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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2019-09-09
Christian Blau
Adding every N-steps option to densityfitting
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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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2019-05-22
Mark Abraham
Rewrite starting behavior
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2019-05-22
Mark Abraham
Introduce tri-state enums for restarts
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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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2019-02-04
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-2018 into 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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2018-11-29
Magnus Lundborg
Make pull with COM from previous step work with MPI
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2018-11-28
Paul Bauer
Fix gcc-8 warnings
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2018-11-22
Mark Abraham
Merge "Merge branch 'release-2019'"
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2018-11-21
David van der Spoel
Merge branch 'release-2019'
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2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
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2018-11-15
Mark Abraham
Fix checkpoint restart of tpr with infinite step count
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2018-11-08
Paul Bauer
Issue fatal error if checkpoint does not suit the .tpr
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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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2018-10-11
Mark Abraham
Open mdrun log file only once
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2018-10-08
Mark Abraham
Implement PaddedVector
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2018-10-05
Mark Abraham
Check log and other files differently during appending...
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2018-10-04
Mark Abraham
Extract helper functions for preparing for appending
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2018-10-03
Magnus Lundborg
Allow using COM of previous step as PBC reference
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2018-10-03
Mark Abraham
Basic modernization of md5 handling
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2018-10-01
Mark Abraham
Fix gcc-8 warnings about strings
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2018-09-30
Bernhard M. Wiedemann
Do not gather CPU, user and host info about the build...
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2018-09-28
Mark Abraham
Make some symbols in gmxpre-config.h always defined
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2018-09-07
Roland Schulz
Simplify Allocator
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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
readability-implicit-bool-conversion 1/2
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2018-08-14
Roland Schulz
Remove BasicVector.as_vec
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2018-08-13
Roland Schulz
Remove cppcheck
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2018-08-08
Roland Schulz
Remove gmx custom fixed int (e.g. gmx_int64_t) types
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