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Take over management of OpenCL context from PME and NBNXM
[alexxy/gromacs.git]
/
src
/
gromacs
/
nbnxm
/
nbnxm_setup.cpp
2020-03-11
Artem Zhmurov
Take over management of OpenCL context from PME and...
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2020-03-04
Artem Zhmurov
Do not count PME only rank when initializing NBNXM
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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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2020-02-23
ejjordan
Use more forward declarations to removed header depende...
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2020-02-06
Artem Zhmurov
Move DeviceInfo into GPU traits
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2020-02-05
Artem Zhmurov
Move non-bonded initialization out of the forcerec
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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-27
Mark Abraham
Make NbnxnGpu class with constructor
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2020-01-16
Mark Abraham
Make nbnxm headers more self-contained
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2020-01-09
Artem Zhmurov
Make PBC type enumeration into PbcType enum class
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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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2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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2019-12-19
ejjordan
Change some domdec data members to RVec or IVec
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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
Berk Hess
Move locality.h from nbnxm to mdtypes
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2019-10-08
Berk Hess
Make nbnxm a proper module
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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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2019-09-12
Berk Hess
Enable TPI with the Verlet cut-off scheme
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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
Szilárd Páll
Store wcycle pointer in nonbonded_verlet_t
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2019-07-22
Szilárd Páll
Conditionally pin GPU-related grid data
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2019-03-28
Berk Hess
Move PairlistSet declaration
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2019-03-28
Berk Hess
Extract nbnxm PairlistSets
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2019-03-25
Berk Hess
Convert nbnxn_pairlist_set_t to class PairlistSet
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2019-03-20
Berk Hess
Move around PairSearch code
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2019-03-15
Berk Hess
Change nbnxn_search to class PairSearch
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2019-03-05
Berk Hess
Turn nbnxn_grid_t into a class
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2019-03-02
Mark Abraham
Merge branch release-2019
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2019-02-28
Berk Hess
Use unique_ptr in nonbonded_verlet_t
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2019-02-23
Berk Hess
Move all nbnxm pruning details into module
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2019-02-23
Berk Hess
Hide internals of nbnxm parlist
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2019-02-21
Berk Hess
Clean up nbnxm enums
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2019-02-21
Berk Hess
Simplify make_pairlist() call signature
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2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
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2019-02-17
Berk Hess
Use enum class for nbnxm locality
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2019-02-17
Berk Hess
Extract nbnxm grid.h and pairlistwork.h
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2019-02-16
Berk Hess
Move nbnxn files to nbnxm directory
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