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Make PBC type enumeration into PbcType enum class
[alexxy/gromacs.git]
/
src
/
gromacs
/
fileio
/
tpxio.cpp
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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2020-01-07
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-07
Erik Lindahl
Write TPR body as opaque XDR data in big-endian format
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2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
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2019-12-29
Erik Lindahl
Write TPR body as opaque XDR data in big-endian format
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2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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2019-12-16
Berk Hess
Use ListOfLists in gmx_mtop_t and gmx_localtop_t
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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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2019-10-01
Berk Hess
Completely remove charge groups
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2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
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2019-09-24
Mark Abraham
Merge "Merge branch release-2019 into master"
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2019-09-24
Paul Bauer
Merge branch release-2019 into master
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2019-09-23
Paul Bauer
Change MPI setup to communicate TPR as buffer
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2019-09-19
Paul Bauer
Split up do_tpx_body functions
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2019-09-18
Paul Bauer
Read TPR file body in buffer
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2019-09-16
Berk Hess
Remove obsolete mdp option ns-type
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2019-09-16
Berk Hess
Add virtual site type 2FD
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2019-09-06
Christian Blau
Adding energy output field for density fitting
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-17
Christian Blau
Fix segfault with old tprs processing internal parameters
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2019-08-14
Christian Blau
Internal parameter storage for IMDModules
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-06-20
Paul Bauer
Use ISerializer for TPR file IO
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2019-06-19
Paul Bauer
Split tpr header reading reading from tpr body
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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-05-03
Paul Bauer
Replace t_grps with std::vector
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2019-04-02
Paul Bauer
Refactor gmx_group_t to SimulationAtomGroups
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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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2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
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2018-11-20
Mark Abraham
Merge "Merge release-2019 into master"
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2018-11-16
Roland Schulz
Merge release-2019 into master
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2018-10-26
Mark Abraham
Merge "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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2018-10-18
Paul Bauer
Fix segmentation fault in gmx helix
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2018-10-15
Magnus Lundborg
Enable output of average pull force and positions.
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2018-10-09
Viacheslav Bolnykh
Implemented changes to preprocessor to work with MiMiC...
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2018-10-08
Mark Abraham
Implement PaddedVector
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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
Paul Bauer
Always use mtop constructor
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2018-09-19
Berk Hess
Convert gmx_cmap_t to C++
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2018-09-19
Berk Hess
Convert gmx_ffparams_t to C++
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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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2018-08-08
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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2018-08-05
Mark Abraham
Reform enforced rotation working data
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2018-07-16
Roland Schulz
Warn for type mismatch for gmx printf like functions 1/3
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2018-07-04
Roland Schulz
Merge release-2018 into master
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2018-07-03
Roland Schulz
clang-tidy: more misc+readability
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2018-06-30
Roland Schulz
clang-tidy: misc-string-compare+perf-value-param
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2018-05-03
Mark Abraham
Merge branch release-2018
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2018-04-27
Aleksei Iupinov
Make asize() a proper template function instead of...
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2018-04-16
Berk Hess
Move natoms_mol out of gmx_molblock_t
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2018-04-13
Mark Abraham
Merge branch release-2018
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2018-04-09
Berk Hess
Convert gmx_molblock_t to C++
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2018-04-03
Berk Hess
Convert gmx_mtop_t to C++
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2018-04-03
Mark Abraham
Merge "Merge branch release-2018"
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2018-03-28
Berk Hess
Remove mols from gmx_mtop_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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2018-03-06
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
Berk Hess
Remove support for tpx version before 58/gmx4.0
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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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2018-01-23
Mark Abraham
Remove support for implicit solvation
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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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2017-11-19
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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2017-09-28
tomaskubar
QM/MM: remove optimization and trans. state search
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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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