biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Add TNG to trjconv doc and more details about TNG selections.
[alexxy/gromacs.git]
/
src
/
gromacs
/
trajectoryanalysis
/
2021-10-26
Kevin Boyd
Add -maxtau option to gmx msd
tree
|
commitdiff
2021-10-24
Kevin Boyd
Update release notes for gmx msd and clear some TODOs
tree
|
commitdiff
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
tree
|
commitdiff
2021-09-15
Mark Abraham
Make static selections of large index groups work.
tree
|
commitdiff
2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
|
commitdiff
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
|
commitdiff
2021-06-29
Paul Bauer
Merge branch release-2021 into master
tree
|
commitdiff
2021-06-15
Mark Abraham
Remove some NOLINT now that clang-tidy-11 is required
tree
|
commitdiff
2021-05-15
Paul Bauer
Use InheritParentConfig: true in clang-tidy files
tree
|
commitdiff
2021-05-11
Mark Abraham
Apply clang-format-11
tree
|
commitdiff
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
tree
|
commitdiff
2021-05-05
Paul Bauer
Apply misc clang-tidy-11 fixes
tree
|
commitdiff
2021-04-23
Artem Zhmurov
Apply clang-11 fixes for fileio
tree
|
commitdiff
2021-04-13
Kevin Boyd
Replace static trajectoryanalysismoduledata methods...
tree
|
commitdiff
2021-04-02
Paul Bauer
Make FileOptionTypes enum class
tree
|
commitdiff
2021-04-01
Paul Bauer
Remove dead code in sasa module
tree
|
commitdiff
2021-03-24
Paul Bauer
Use TextWriter in msd tests
tree
|
commitdiff
2021-03-19
Paul Bauer
Bulk change to const ref for mtop
tree
|
commitdiff
2021-03-17
Paul Bauer
Fix errors overlooked in gmx msd changes
tree
|
commitdiff
2021-03-16
Kevin Boyd
Migrate gmx msd to the trajectoryanalysis framework
tree
|
commitdiff
2021-03-15
Paul Bauer
Move M_PI definition to math/units.h
tree
|
commitdiff
2021-03-09
ejjordan
Move radian-angle conversions to math/utility
tree
|
commitdiff
2021-03-09
Joe Jordan
Use constexpr for physical constants and move them...
tree
|
commitdiff
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
tree
|
commitdiff
2021-03-02
Paul Bauer
Modernize atom enums
tree
|
commitdiff
2021-02-12
Mark Abraham
Merge branch release-2021 into master
tree
|
commitdiff
2021-02-08
Paul Bauer
Fix clang-tidy-11 for trajectoryanalysis
tree
|
commitdiff
2021-01-29
Mark Abraham
Remove PrivateImplPointer in favour of std::unique_ptr
tree
|
commitdiff
2021-01-29
Mark Abraham
Merge branch release-2021
tree
|
commitdiff
2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
tree
|
commitdiff
2020-12-18
Mark Abraham
Merge branch release-2021
tree
|
commitdiff
2020-12-16
M. Eric Irrgang
Apply re-formatting to C++ in src/ tree.
tree
|
commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
tree
|
commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
tree
|
commitdiff
2020-11-20
M. Eric Irrgang
Create CMake targets for each of the modules.
tree
|
commitdiff
2020-11-17
M. Eric Irrgang
Separate the testutils module.
tree
|
commitdiff
2020-11-13
M. Eric Irrgang
Provide a catch-all target for library modules.
tree
|
commitdiff
2020-11-12
M. Eric Irrgang
Provide common library headers through new CMake target.
tree
|
commitdiff
2020-11-11
Paul Bauer
Fix segmentation fault in gmx pairdist
tree
|
commitdiff
2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
tree
|
commitdiff
2020-10-09
Paul Bauer
Remove under the hood editing of pdb files
tree
|
commitdiff
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
tree
|
commitdiff
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
tree
|
commitdiff
2020-07-15
Alexey Shvetsov
Allow to compile template with gmx-lagacyapi enabled
tree
|
commitdiff
2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
tree
|
commitdiff
2020-04-29
M. Eric Irrgang
Apply more granular CTest time-out policy.
tree
|
commitdiff
2020-04-27
M. Eric Irrgang
Resolve static analyzer warnings from google tests.
tree
|
commitdiff
2020-04-08
Mark Abraham
Fixes for clang-tidy-9
tree
|
commitdiff
2020-04-07
Mark Abraham
Replace EnumOption with EnumerationArrayOption
tree
|
commitdiff
2020-03-06
Mark Abraham
Simplify compiling GPU code for tests
tree
|
commitdiff
2020-03-05
Berk Hess
Add InteractionDefinitions
tree
|
commitdiff
2020-03-04
Paul Bauer
Merge branch release-2020 into master
tree
|
commitdiff
2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
tree
|
commitdiff
2020-02-23
ejjordan
Use more forward declarations to removed header depende...
tree
|
commitdiff
2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
tree
|
commitdiff
2020-01-09
Artem Zhmurov
Make PBC type enumeration into PbcType enum class
tree
|
commitdiff
2020-01-09
Mark Abraham
Split lines with many copyright years
tree
|
commitdiff
2020-01-08
Roland Schulz
Merge release-2019 into release-2020
tree
|
commitdiff
2020-01-07
Paul Bauer
Merge branch origin/release-2020 into master
tree
|
commitdiff
2020-01-07
Paul Bauer
Merge commit d30f2cb6 from release-2020 into master
tree
|
commitdiff
2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
tree
|
commitdiff
2019-12-16
Berk Hess
Use ListOfLists in gmx_mtop_t and gmx_localtop_t
tree
|
commitdiff
2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
tree
|
commitdiff
2019-11-21
Mark Abraham
Merge branch release-2020
tree
|
commitdiff
2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
tree
|
commitdiff
2019-11-13
Erik Lindahl
Updated physical constants to CODATA 2018
tree
|
commitdiff
2019-11-07
Paul Bauer
Apply clang-format to source tree
tree
|
commitdiff
2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
tree
|
commitdiff
2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
tree
|
commitdiff
2019-09-24
Paul Bauer
Merge branch release-2019 into master
tree
|
commitdiff
2019-09-10
Paul Bauer
Add method to extract clusters from trajectory
tree
|
commitdiff
2019-09-09
Paul Bauer
Add gmx convert-trj
tree
|
commitdiff
2019-08-26
Paul Bauer
Remove installed headers from CMake
tree
|
commitdiff
2019-08-22
Mark Abraham
Merge branch release-2019
tree
|
commitdiff
2019-08-20
Mark Abraham
Apply clang-tidy-8 readability-uppercase-literal-suffix
tree
|
commitdiff
2019-08-20
Mark Abraham
Fix issues for clang-analyzer-8
tree
|
commitdiff
2019-08-06
M. Eric Irrgang
Convert test infrastructure targets to static library...
tree
|
commitdiff
2019-08-01
Paul Bauer
Merge release-2019 into master
tree
|
commitdiff
2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
tree
|
commitdiff
2019-03-02
Mark Abraham
Merge branch release-2019
tree
|
commitdiff
2019-02-20
Paul Bauer
Merge "Merge branch 'release-2019' into master"
tree
|
commitdiff
2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
tree
|
commitdiff
2019-02-14
Mark Abraham
Fix use of selections referring to index groups
tree
|
commitdiff
2019-02-07
Roland Schulz
Add ssize and remove static_casts
tree
|
commitdiff
2019-02-04
Roland Schulz
Rename all source files from - to _ for consistency.
tree
|
commitdiff
2019-02-04
Roland Schulz
Replace compat::make_unique with std::make_unique
tree
|
commitdiff
2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
tree
|
commitdiff
2019-01-25
Mark Abraham
Use native cmake C++11 support
tree
|
commitdiff
2019-01-23
Roland Schulz
Merge release-2019 into master
tree
|
commitdiff
2019-01-23
Roland Schulz
Merge release-2018 into release-2019
tree
|
commitdiff
2019-01-11
Paul Bauer
Make AtomProperties class with Impl
tree
|
commitdiff
2019-01-04
Paul Bauer
Change gmx_localtop_t to C++
tree
|
commitdiff
2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
tree
|
commitdiff
2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
tree
|
commitdiff
2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
tree
|
commitdiff
2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
tree
|
commitdiff
2018-09-21
Roland Schulz
Fix clang-tidy warnings for clang 7
tree
|
commitdiff
2018-09-09
Mark Abraham
Change TopologyInformation implementation
tree
|
commitdiff
2018-09-07
Roland Schulz
clang-tidy: override
tree
|
commitdiff
2018-08-29
Mark Abraham
Merge branch release-2018
tree
|
commitdiff
next