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Refactor md_enums
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
topio.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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2021-01-29
Mark Abraham
Merge branch release-2021
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2021-01-26
Pascal Merz
Enable grompp to read virtual_site1
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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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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-04-30
M. Eric Irrgang
Update header sorting.
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2020-04-08
Mark Abraham
Fixes for clang-tidy-9
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2020-04-03
M. Eric Irrgang
Prune change-management.rst and update links.
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2020-03-16
Christian Blau
Remove dysfunctional QMMM interface pt1
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2020-03-05
Berk Hess
Add InteractionDefinitions
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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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2020-02-05
Paul Bauer
Use more MDLogger in preprocessing
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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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2020-01-01
Erik Lindahl
Add link to paper explaining GROMOS twin-range issues.
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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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2019-10-23
ejjordan
Make t_nextnb an implementation detail
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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
Paul Bauer
Merge branch release-2019 into master
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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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2019-07-31
Berk Hess
Add grompp warning with use of GROMOS FF
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2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
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2019-04-16
Paul Bauer
Refactor t_pindex
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2019-04-02
Paul Bauer
Refactor gpp_bond_atomtype
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2019-04-02
Paul Bauer
Add std::string case insensitive compare
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2019-04-02
Paul Bauer
Refactor gmx_group_t to SimulationAtomGroups
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2019-03-13
Paul Bauer
Refactor t_param to InteractionType
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2019-03-11
Berk Hess
Add grompp warning with use of GROMOS FF
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2019-03-08
Paul Bauer
Refactor preprocessing atom types.
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2019-03-02
Mark Abraham
Merge branch release-2019
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2019-02-27
Paul Bauer
Refactor t_params to InteractionTypeParameters
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2019-02-25
Paul Bauer
Refactor ExclusionBlocks
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2019-02-21
Paul Bauer
Refactor t_molinfo to MoleculeInformation class
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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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2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
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2019-01-26
David van der Spoel
Fixed some typos in comments.
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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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2019-01-13
Mark Abraham
Improve use of gmxpreprocess headers
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2019-01-13
Kevin Boyd
Add grompp check for usage of "define" field in mdp
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2019-01-11
Mark Abraham
Use enum class for grompp directives
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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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2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
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2018-10-15
Mark Abraham
Create ExclusionBlocks
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2018-10-09
Viacheslav Bolnykh
Implemented changes to preprocessor to work with MiMiC...
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2018-10-04
Berk Hess
Add note to avoid constraints=all-bonds
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2018-09-13
Berk Hess
Add C++ version of t_ilist
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2018-09-07
Mark Abraham
Fix grompp memory leaks
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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
Fix part of old-style casting
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2018-07-30
Joe Jordan
remove most debug flags from gmxpreprocess
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2018-07-17
Joe Jordan
change gmx_bool to bool in gmxpreprocess
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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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2018-07-01
Roland Schulz
clang-tidy: readability-non-const-parameter (2/2)
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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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2018-04-03
Berk Hess
Convert gmx_mtop_t to C++
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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
Mark Abraham
Merge branch release-2016 into release-2018
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2018-02-14
Berk Hess
Fix grompp net charge check
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diff to current
2018-02-14
Berk Hess
Fix grompp net charge check
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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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biod.pnpi.spb.ru / alexxy / gromacs.git / history