biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Move the code of what will later implement LocalTopologyChecker
[alexxy/gromacs.git]
/
src
/
gromacs
/
domdec
/
domdec_topology.cpp
2021-05-27
Mark Abraham
Move the code of what will later implement LocalTopolog...
blob
|
commitdiff
|
raw
2021-05-17
Mark Abraham
Refactor gmx_reverse_top_t
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
2021-05-05
Mark Abraham
Break up dd_init_bondeds
blob
|
commitdiff
|
raw
|
diff to current
2021-05-04
Mark Abraham
Decouple update-group aspects of vsites and constraints
blob
|
commitdiff
|
raw
|
diff to current
2021-05-03
Berk Hess
Clean up DD bonded interaction assignment
blob
|
commitdiff
|
raw
|
diff to current
2021-05-03
Mark Abraham
Replace bool with enum class in DomdecOptions
blob
|
commitdiff
|
raw
|
diff to current
2021-04-20
Joe Jordan
Use enum class for gmx_omp_nthreads
blob
|
commitdiff
|
raw
|
diff to current
2021-03-30
Mark Abraham
Move responsibility for checking bondeds in reverse...
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
Fix nightly clang-tidy build
blob
|
commitdiff
|
raw
|
diff to current
2021-02-28
Joe Jordan
Use more const ref in domdec API
blob
|
commitdiff
|
raw
|
diff to current
2021-02-26
Joe Jordan
Only use const ref for mtop and inputrec in domdec
blob
|
commitdiff
|
raw
|
diff to current
2021-02-22
Mark Abraham
Hide newly exposed domdec internals
blob
|
commitdiff
|
raw
|
diff to current
2021-02-22
Paul Bauer
Remove raw pointer to gmx_reverse_top
blob
|
commitdiff
|
raw
|
diff to current
2021-02-22
Berk Hess
Reduce use of gmx_domdec_t in domdec_topology.cpp
blob
|
commitdiff
|
raw
|
diff to current
2021-02-22
Paul Bauer
Refactor md_enums
blob
|
commitdiff
|
raw
|
diff to current
2021-02-19
Berk Hess
Clean up DD reverse topology options
blob
|
commitdiff
|
raw
|
diff to current
2021-02-12
Mark Abraham
Merge branch release-2021 into master
blob
|
commitdiff
|
raw
|
diff to current
2021-02-05
Paul Bauer
Clean up domdec again after clang-tidy-11 fixes
blob
|
commitdiff
|
raw
|
diff to current
2021-02-05
Paul Bauer
Fix clang-tidy-11 for domdec and utility
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
2020-09-10
Gilles Gouaillardet
fix check_assign_interactions_atom()
blob
|
commitdiff
|
raw
|
diff to current
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
blob
|
commitdiff
|
raw
|
diff to current
2020-08-26
Gilles Gouaillardet
fix check_assign_interactions_atom()
blob
|
commitdiff
|
raw
|
diff to current
2020-07-29
Kevin Boyd
Fix undefined behavior flagged by UBSAN
blob
|
commitdiff
|
raw
|
diff to current
2020-05-19
Berk Hess
Refactor print_missing_interactions()
blob
|
commitdiff
|
raw
|
diff to current
2020-05-12
Berk Hess
Refactor virtual site interface
blob
|
commitdiff
|
raw
|
diff to current
2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
blob
|
commitdiff
|
raw
|
diff to current
2020-04-27
Mark Abraham
Improved some logic in do_force
blob
|
commitdiff
|
raw
|
diff to current
2020-03-17
Berk Hess
Convert t_graph to C++
blob
|
commitdiff
|
raw
|
diff to current
2020-03-05
Berk Hess
Add InteractionDefinitions
blob
|
commitdiff
|
raw
|
diff to current
2020-03-04
Paul Bauer
Merge "Merge branch 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
2020-02-24
Pascal Merz
Use ArrayRef in compute_globals
blob
|
commitdiff
|
raw
|
diff to current
2020-02-23
ejjordan
Use more forward declarations to removed header depende...
blob
|
commitdiff
|
raw
|
diff to current
2020-02-13
Pascal Merz
Fix checkNumberOfBondedInteractions bug
blob
|
commitdiff
|
raw
|
diff to current
2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
blob
|
commitdiff
|
raw
|
diff to current
2020-01-13
Berk Hess
Avoid unnecessary exclusion generation in DD
blob
|
commitdiff
|
raw
|
diff to current
2020-01-09
Artem Zhmurov
Make PBC type enumeration into PbcType enum class
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
2019-12-19
ejjordan
Change some domdec data members to RVec or IVec
blob
|
commitdiff
|
raw
|
diff to current
2019-12-19
Berk Hess
Expand ListOfLists pushBack() functionality
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
2019-12-12
Paul Bauer
Merge branch 'origin/release-2020' into master
blob
|
commitdiff
|
raw
|
diff to current
2019-11-30
Paul Bauer
Merge origin/release-2020 into master
blob
|
commitdiff
|
raw
|
diff to current
2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
blob
|
commitdiff
|
raw
|
diff to current
2019-11-21
Mark Abraham
Merge branch 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
2019-11-18
Berk Hess
Fix intermolecular interactions with DD
blob
|
commitdiff
|
raw
|
diff to current
2019-11-14
Berk Hess
Simplify t_forcerec destruction
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
Use gmx::Range in domdec
blob
|
commitdiff
|
raw
|
diff to current
2019-10-01
Berk Hess
Completely remove charge groups
blob
|
commitdiff
|
raw
|
diff to current
2019-10-01
Berk Hess
Simplify DD exclusion counting
blob
|
commitdiff
|
raw
|
diff to current
2019-09-27
Berk Hess
Extract gmx::Range
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
2019-09-19
Berk Hess
Remove bLocalCG from DD code
blob
|
commitdiff
|
raw
|
diff to current
2019-09-19
Berk Hess
Remove obsolete make_exclusions_zone_cg()
blob
|
commitdiff
|
raw
|
diff to current
2019-09-19
ejjordan
Remove or update comments containing 'group scheme'
blob
|
commitdiff
|
raw
|
diff to current
2019-09-04
Berk Hess
Move constraint and bonded filtering info into DDSystemInfo
blob
|
commitdiff
|
raw
|
diff to current
2019-08-22
Mark Abraham
Merge branch release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-08-20
Mark Abraham
Apply clang-tidy-8 readability-uppercase-literal-suffix
blob
|
commitdiff
|
raw
|
diff to current
2019-08-16
Mark Abraham
Update testing matrices and fix warnings
blob
|
commitdiff
|
raw
|
diff to current
2019-08-01
Paul Bauer
Merge release-2019 into master
blob
|
commitdiff
|
raw
|
diff to current
2019-07-11
Pascal Merz
Remove dependence of compute_globals on t_state
blob
|
commitdiff
|
raw
|
diff to current
2019-07-02
Kevin Boyd
Remove references to ecutsGROUP
blob
|
commitdiff
|
raw
|
diff to current
2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-04-18
Berk Hess
Remove charge groups from domdec and localtop
blob
|
commitdiff
|
raw
|
diff to current
2019-04-17
Berk Hess
Simplify vsite PBC handling
blob
|
commitdiff
|
raw
|
diff to current
2019-03-02
Mark Abraham
Merge branch release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
blob
|
commitdiff
|
raw
|
diff to current
2019-02-11
Roland Schulz
Remove EmptyArrayRef
blob
|
commitdiff
|
raw
|
diff to current
2019-02-07
Roland Schulz
Revert size to be unsigned for ArrayRef
blob
|
commitdiff
|
raw
|
diff to current
2019-02-07
Roland Schulz
Add ssize and remove static_casts
blob
|
commitdiff
|
raw
|
diff to current
2019-02-04
Roland Schulz
Replace compat::make_unique with std::make_unique
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
2019-01-09
Paul Bauer
Fix uncrustify complaining about files
blob
|
commitdiff
|
raw
|
diff to current
2019-01-04
Paul Bauer
Change gmx_localtop_t to C++
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
2018-11-20
Mark Abraham
Merge "Merge release-2019 into master"
blob
|
commitdiff
|
raw
|
diff to current
2018-11-16
Roland Schulz
Merge release-2019 into master
blob
|
commitdiff
|
raw
|
diff to current
2018-11-01
Berk Hess
Fix broken update groups
blob
|
commitdiff
|
raw
|
diff to current
next