biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Simplify short-circuit logic in grompp
[alexxy/gromacs.git]
/
src
/
gromacs
/
gmxpreprocess
/
toppush.cpp
2021-07-30
Mark Abraham
Simplify short-circuit logic in grompp
blob
|
commitdiff
|
raw
2021-07-28
Mark Abraham
Optimize grompp VDW parameter-generation allocations
blob
|
commitdiff
|
raw
|
diff to current
2021-07-02
Andrey Alekseenko
Avoid passing a temporary object to emplace_back
blob
|
commitdiff
|
raw
|
diff to current
2021-06-29
Paul Bauer
Merge branch release-2021 into master
blob
|
commitdiff
|
raw
|
diff to current
2021-06-18
Berk Hess
Speed up grompp LJ parameter generation
blob
|
commitdiff
|
raw
|
diff to current
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
blob
|
commitdiff
|
raw
|
diff to current
2021-03-22
Mark Abraham
Use StringToEnumValueConverter and enumValueToString...
blob
|
commitdiff
|
raw
|
diff to current
2021-03-05
Mark Abraham
Introduce StringToEnumValue
blob
|
commitdiff
|
raw
|
diff to current
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
blob
|
commitdiff
|
raw
|
diff to current
2021-03-02
Paul Bauer
Modernize atom enums
blob
|
commitdiff
|
raw
|
diff to current
2021-03-02
Paul Bauer
Use optional instead of magic numbers in preprocessing
blob
|
commitdiff
|
raw
|
diff to current
2021-02-22
Paul Bauer
Refactor md_enums
blob
|
commitdiff
|
raw
|
diff to current
2021-02-12
Mark Abraham
Merge branch release-2021 into master
blob
|
commitdiff
|
raw
|
diff to current
2021-02-03
Paul Bauer
Fix issues found by static analyzer
blob
|
commitdiff
|
raw
|
diff to current
2021-01-29
Mark Abraham
Merge branch release-2021
blob
|
commitdiff
|
raw
|
diff to current
2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
blob
|
commitdiff
|
raw
|
diff to current
2020-12-18
Mark Abraham
Merge branch release-2021
blob
|
commitdiff
|
raw
|
diff to current
2020-12-16
M. Eric Irrgang
Apply re-formatting to C++ in src/ tree.
blob
|
commitdiff
|
raw
|
diff to current
2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
blob
|
commitdiff
|
raw
|
diff to current
2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
blob
|
commitdiff
|
raw
|
diff to current
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
blob
|
commitdiff
|
raw
|
diff to current
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
blob
|
commitdiff
|
raw
|
diff to current
2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
blob
|
commitdiff
|
raw
|
diff to current
2020-03-04
Paul Bauer
Merge branch release-2020 into master
blob
|
commitdiff
|
raw
|
diff to current
2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
blob
|
commitdiff
|
raw
|
diff to current
2020-01-09
Mark Abraham
Split lines with many copyright years
blob
|
commitdiff
|
raw
|
diff to current
2020-01-08
Roland Schulz
Merge release-2019 into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2020-01-07
Paul Bauer
Merge branch origin/release-2020 into master
blob
|
commitdiff
|
raw
|
diff to current
2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
blob
|
commitdiff
|
raw
|
diff to current
2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2019-12-16
Berk Hess
Use ListOfLists in gmx_mtop_t and gmx_localtop_t
blob
|
commitdiff
|
raw
|
diff to current
2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2019-11-07
Paul Bauer
Apply clang-format to source tree
blob
|
commitdiff
|
raw
|
diff to current
2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
blob
|
commitdiff
|
raw
|
diff to current
2019-10-01
Berk Hess
Completely remove charge groups
blob
|
commitdiff
|
raw
|
diff to current
2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
blob
|
commitdiff
|
raw
|
diff to current
2019-09-24
Paul Bauer
Merge branch release-2019 into master
blob
|
commitdiff
|
raw
|
diff to current
2019-08-23
Mark Abraham
Update clang-tidy to clang version 8
blob
|
commitdiff
|
raw
|
diff to current
2019-08-22
Mark Abraham
Merge branch release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-08-01
Mark Abraham
Merge "Merge release-2019 into master"
blob
|
commitdiff
|
raw
|
diff to current
2019-08-01
Paul Bauer
Merge release-2019 into master
blob
|
commitdiff
|
raw
|
diff to current
2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-04-23
Mark Abraham
Clarify pushing of interaction types
blob
|
commitdiff
|
raw
|
diff to current
2019-04-16
Paul Bauer
Refactor t_pindex
blob
|
commitdiff
|
raw
|
diff to current
2019-04-12
Mark Abraham
Improve warning messages about duplicate definitions
blob
|
commitdiff
|
raw
|
diff to current
2019-04-02
Paul Bauer
Refactor gpp_bond_atomtype
blob
|
commitdiff
|
raw
|
diff to current
2019-03-31
David van der Spoel
Removed confusing gpp_atomtype functions.
blob
|
commitdiff
|
raw
|
diff to current
2019-03-28
Roland Schulz
Fix UB vector usage
blob
|
commitdiff
|
raw
|
diff to current
2019-03-13
Paul Bauer
Refactor t_param to InteractionType
blob
|
commitdiff
|
raw
|
diff to current
2019-03-08
Paul Bauer
Refactor preprocessing atom types.
blob
|
commitdiff
|
raw
|
diff to current
2019-03-02
Mark Abraham
Merge branch release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-02-27
Paul Bauer
Refactor t_params to InteractionTypeParameters
blob
|
commitdiff
|
raw
|
diff to current
2019-02-25
Paul Bauer
Refactor ExclusionBlocks
blob
|
commitdiff
|
raw
|
diff to current
2019-02-21
Paul Bauer
Refactor t_molinfo to MoleculeInformation class
blob
|
commitdiff
|
raw
|
diff to current
2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
blob
|
commitdiff
|
raw
|
diff to current
2019-02-04
Roland Schulz
Rename all source files from - to _ for consistency.
blob
|
commitdiff
|
raw
|
diff to current
2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-01-23
Roland Schulz
Merge release-2019 into master
blob
|
commitdiff
|
raw
|
diff to current
2019-01-23
Roland Schulz
Merge release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-01-13
Mark Abraham
Improve use of gmxpreprocess headers
blob
|
commitdiff
|
raw
|
diff to current
2019-01-11
Mark Abraham
Use enum class for grompp directives
blob
|
commitdiff
|
raw
|
diff to current
2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2018-10-15
Mark Abraham
Create ExclusionBlocks
blob
|
commitdiff
|
raw
|
diff to current
2018-10-01
Mark Abraham
Fix gcc-8 warnings about strings
blob
|
commitdiff
|
raw
|
diff to current
2018-09-10
Roland Schulz
Replace rounding using int(x+0.5) with roundToInt
blob
|
commitdiff
|
raw
|
diff to current
2018-08-29
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-08-24
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-08-18
Roland Schulz
readability-implicit-bool-conversion 1/2
blob
|
commitdiff
|
raw
|
diff to current
2018-08-18
Roland Schulz
clang-tidy modernize
blob
|
commitdiff
|
raw
|
diff to current
2018-08-12
Roland Schulz
3/3 of old-style casting
blob
|
commitdiff
|
raw
|
diff to current
2018-08-08
Roland Schulz
Fix part of old-style casting
blob
|
commitdiff
|
raw
|
diff to current
2018-07-30
Joe Jordan
remove most debug flags from gmxpreprocess
blob
|
commitdiff
|
raw
|
diff to current
2018-07-17
Joe Jordan
change gmx_bool to bool in gmxpreprocess
blob
|
commitdiff
|
raw
|
diff to current
2018-07-04
Roland Schulz
Merge release-2018 into master
blob
|
commitdiff
|
raw
|
diff to current
2018-07-03
Roland Schulz
clang-tidy: misc-misplaced-const
blob
|
commitdiff
|
raw
|
diff to current
2018-06-28
Roland Schulz
clang-tidy: performance-type-promotion-in-math-fn
blob
|
commitdiff
|
raw
|
diff to current
2018-06-23
Roland Schulz
Allow to enable clang-tidy with GMX_CLANG_TIDY
blob
|
commitdiff
|
raw
|
diff to current
2018-05-03
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-04-13
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-03-28
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-03-20
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-03-06
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-02-27
Aleksei Iupinov
Merge branch 'release-2018'
blob
|
commitdiff
|
raw
|
diff to current
2018-02-16
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-02-16
Mark Abraham
Merge branch release-2018 into master
blob
|
commitdiff
|
raw
|
diff to current
2018-02-14
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-02-09
Mark Abraham
Merge branch release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-02-08
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2018-02-08
Aleksei Iupinov
Merge branch 'release-2018' into master
blob
|
commitdiff
|
raw
|
diff to current
2018-01-23
Mark Abraham
Remove support for implicit solvation
blob
|
commitdiff
|
raw
|
diff to current
2018-01-09
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2017-12-22
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2017-12-21
Mark Abraham
Merge branch release-5-1 into release-2016
blob
|
commitdiff
|
raw
|
diff to current
2017-12-20
Mark Abraham
Merge branch release-2016 into release-2018
blob
|
commitdiff
|
raw
|
diff to current
2017-12-14
Mark Abraham
Merge "Merge branch release-2016 into release-2018...
blob
|
commitdiff
|
raw
|
diff to current
next