biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅ next
remove InteractionLocality from PairListSet constructor
[alexxy/gromacs.git]
/
src
/
gromacs
/
nbnxm
/
nbnxm_setup.cpp
2021-02-22
ejjordan
remove InteractionLocality from PairListSet constructor
blob
|
commitdiff
|
raw
2021-02-22
Paul Bauer
Refactor md_enums
blob
|
commitdiff
|
raw
|
diff to current
2021-02-19
Joe Jordan
Use const refs in init_nb_verlet
blob
|
commitdiff
|
raw
|
diff to current
2021-02-12
Mark Abraham
Merge branch release-2021 into master
blob
|
commitdiff
|
raw
|
diff to current
2021-02-10
Andrey Alekseenko
Fix clang-tidy-11 errors in NBNXM module, part 1
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
2020-09-17
Berk Hess
Move bNonbonded flag from t_forcerec to SimulationWorkload
blob
|
commitdiff
|
raw
|
diff to current
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
blob
|
commitdiff
|
raw
|
diff to current
2020-08-13
Berk Hess
Add new FEP perturbation check functions
blob
|
commitdiff
|
raw
|
diff to current
2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
blob
|
commitdiff
|
raw
|
diff to current
2020-04-25
Roland Schulz
Fix MSVC 2019 warnings
blob
|
commitdiff
|
raw
|
diff to current
2020-03-25
Artem Zhmurov
Make use of the DeviceStreamManager
blob
|
commitdiff
|
raw
|
diff to current
2020-03-19
Artem Zhmurov
Store DeviceInformation inside the DeviceContext class
blob
|
commitdiff
|
raw
|
diff to current
2020-03-13
Artem Zhmurov
Use DeviceStream init(...) function to create streams
blob
|
commitdiff
|
raw
|
diff to current
2020-03-11
Artem Zhmurov
Take over management of OpenCL context from PME and...
blob
|
commitdiff
|
raw
|
diff to current
2020-03-04
Artem Zhmurov
Do not count PME only rank when initializing NBNXM
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
2020-02-23
ejjordan
Use more forward declarations to removed header depende...
blob
|
commitdiff
|
raw
|
diff to current
2020-02-06
Artem Zhmurov
Move DeviceInfo into GPU traits
blob
|
commitdiff
|
raw
|
diff to current
2020-02-05
Artem Zhmurov
Move non-bonded initialization out of the forcerec
blob
|
commitdiff
|
raw
|
diff to current
2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
blob
|
commitdiff
|
raw
|
diff to current
2020-01-27
Mark Abraham
Make NbnxnGpu class with constructor
blob
|
commitdiff
|
raw
|
diff to current
2020-01-16
Mark Abraham
Make nbnxm headers more self-contained
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
2019-11-29
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
2019-10-23
Berk Hess
Move locality.h from nbnxm to mdtypes
blob
|
commitdiff
|
raw
|
diff to current
2019-10-08
Berk Hess
Make nbnxm a proper module
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
2019-09-12
Berk Hess
Enable TPI with the Verlet cut-off scheme
blob
|
commitdiff
|
raw
|
diff to current
2019-08-22
Mark Abraham
Merge branch release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-08-01
Paul Bauer
Merge release-2019 into master
blob
|
commitdiff
|
raw
|
diff to current
2019-07-31
Szilárd Páll
Store wcycle pointer in nonbonded_verlet_t
blob
|
commitdiff
|
raw
|
diff to current
2019-07-22
Szilárd Páll
Conditionally pin GPU-related grid data
blob
|
commitdiff
|
raw
|
diff to current
2019-03-28
Berk Hess
Move PairlistSet declaration
blob
|
commitdiff
|
raw
|
diff to current
2019-03-28
Berk Hess
Extract nbnxm PairlistSets
blob
|
commitdiff
|
raw
|
diff to current
2019-03-25
Berk Hess
Convert nbnxn_pairlist_set_t to class PairlistSet
blob
|
commitdiff
|
raw
|
diff to current
2019-03-20
Berk Hess
Move around PairSearch code
blob
|
commitdiff
|
raw
|
diff to current
2019-03-15
Berk Hess
Change nbnxn_search to class PairSearch
blob
|
commitdiff
|
raw
|
diff to current
2019-03-05
Berk Hess
Turn nbnxn_grid_t into a class
blob
|
commitdiff
|
raw
|
diff to current
2019-03-02
Mark Abraham
Merge branch release-2019
blob
|
commitdiff
|
raw
|
diff to current
2019-02-28
Berk Hess
Use unique_ptr in nonbonded_verlet_t
blob
|
commitdiff
|
raw
|
diff to current
2019-02-23
Berk Hess
Move all nbnxm pruning details into module
blob
|
commitdiff
|
raw
|
diff to current
2019-02-23
Berk Hess
Hide internals of nbnxm parlist
blob
|
commitdiff
|
raw
|
diff to current
2019-02-21
Berk Hess
Clean up nbnxm enums
blob
|
commitdiff
|
raw
|
diff to current
2019-02-21
Berk Hess
Simplify make_pairlist() call signature
blob
|
commitdiff
|
raw
|
diff to current
2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
blob
|
commitdiff
|
raw
|
diff to current
2019-02-17
Berk Hess
Use enum class for nbnxm locality
blob
|
commitdiff
|
raw
|
diff to current
2019-02-17
Berk Hess
Extract nbnxm grid.h and pairlistwork.h
blob
|
commitdiff
|
raw
|
diff to current
2019-02-16
Berk Hess
Move nbnxn files to nbnxm directory
blob
|
commitdiff
|
raw
|
diff to current