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Rename all source files from - to _ for consistency.
[alexxy/gromacs.git]
/
src
/
gromacs
/
fileio
/
checkpoint.cpp
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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2019-01-23
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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2018-08-06
Roland Schulz
Change gmx_bool from int to bool
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2018-08-04
Roland Schulz
clang-tidy: modernize make-unique/shared
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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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2018-07-04
Roland Schulz
Merge release-2018 into master
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2018-07-04
Roland Schulz
Enable more warnings for Clang 6
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2018-06-29
Roland Schulz
clang-tidy: misc-suspicious-missing-comma
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2018-06-29
Roland Schulz
clang-tidy: add modernize nullptr & emplace
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2018-06-28
Roland Schulz
clang-tidy: 4 readability checks
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2018-05-04
Paul Bauer
Fix md -cpi -noappend
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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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2018-04-04
Mark Abraham
Quiet checkpoint reading
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2018-04-03
Mark Abraham
Merge "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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2018-03-20
Berk Hess
Fix gmx dump AWH formatting issue
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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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2018-02-19
Mark Abraham
Disallowed change of ensemble for checkpoint restart
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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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2018-02-15
Mark Abraham
Use struct for checkpoint header contents
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2018-02-14
Mark Abraham
Remove read_checkpoint_state
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2018-02-14
Mark Abraham
Use std::vector for checkpoint outputfiles
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2018-02-14
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-14
Mark Abraham
Fix bug in checkpoint error checking
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2018-02-08
Mark Abraham
Merge branch release-2016 into release-2018
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2018-01-09
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-22
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-21
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-12-20
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-12
Mark Abraham
Merge branch release-2016 into release-2018
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2017-12-04
Mark Abraham
Merge branch release-2016 into release-2018
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2017-11-21
Mark Abraham
Use much less PaddedRVecVector and more ArrayRef of...
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2017-11-21
Viveca Lindahl
Add force correlation to AWH module
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2017-11-19
Viveca Lindahl
Add AWH biasing module + tests
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2017-11-02
Mark Abraham
Merge branch release-2016
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2017-10-20
Mark Abraham
Merge branch release-2016
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2017-10-16
Mark Abraham
Merge branch release-2016
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2017-10-06
Berk Hess
Improve PaddedRVecVector resizing
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2017-09-17
Mark Abraham
Merge branch release-2016
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2017-09-12
Mark Abraham
Merge branch release-2016
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2017-09-12
Szilárd Páll
Merge branch 'release-2016'
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2017-09-03
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-08-28
Roland Schulz
Enable unused function warning
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2017-08-23
Mark Abraham
Stopped checkpoint influencing parallelism setup
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2017-08-22
Mark Abraham
Merge branch release-2016
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2017-08-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-07-03
Berk Hess
Remove gmx_constexpr
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2017-06-28
Mark Abraham
Merge branch release-2016
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2017-06-27
Roland Schulz
Merge branch release-2016
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2017-06-04
Berk Hess
Fix checkpoint reading without energy history
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2017-05-23
Berk Hess
Add conserved quantity for Berendsen P-couple
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2017-05-23
Berk Hess
Add conserved q. for PR and Berendsen T-couple
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2017-05-22
Berk Hess
Introduce ObservablesHistory container
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2017-05-09
Mark Abraham
Merge branch release-2016
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2017-05-09
Mark Abraham
Cleaned up memory usage in gmx traj and trjconv
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2017-04-18
Berk Hess
Suppress two compiler warnings
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2017-03-31
Mark Abraham
Merge branch release-2016
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2017-03-14
Mark Abraham
Merge branch release-2016
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2017-02-15
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-02-09
Mark Abraham
Complete the removal of stateful RNG
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2017-02-07
Mark Abraham
Merge branch release-2016
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2017-02-05
Mark Abraham
Merge branch release-5-1 into release-2016
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2017-01-31
Mark Abraham
Merge branch release-5-1 into release-2016
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