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Remove unneeded members from nb_kernel_data_t
[alexxy/gromacs.git]
/
src
/
gromacs
/
nbnxm
/
kerneldispatch.cpp
2021-03-24
ejjordan
Remove unneeded members from nb_kernel_data_t
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2021-03-19
Joe Jordan
Make non bonded energy terms enum class
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2021-02-22
Paul Bauer
Refactor md_enums
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2021-02-12
Mark Abraham
Merge branch release-2021 into master
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2021-02-10
Andrey Alekseenko
Fix clang-tidy-11 errors in NBNXM module, part 1
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2021-02-04
Artem Zhmurov
Make LJ combination rule enum into an enum class
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2021-01-29
Mark Abraham
Merge branch release-2021
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2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2020-12-18
Mark Abraham
Merge branch release-2021
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2020-12-16
M. Eric Irrgang
Apply re-formatting to C++ in src/ tree.
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2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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2020-09-10
Artem Zhmurov
Unify more functions in CUDA and OpenCL implementations...
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-08-07
Berk Hess
Add accumulation checks to ForeignLambdaTerms
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2020-07-31
Berk Hess
Move foreign potential energy accumulation
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2020-07-06
Berk Hess
Move foreign potential energy accumulation
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-03-04
Paul Bauer
Merge branch release-2020 into master
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2020-03-03
Magnus Lundborg
Store dHdL for all neighbor lambdas
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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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2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
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2020-01-16
Mark Abraham
Make nbnxm headers more self-contained
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2020-01-09
Mark Abraham
Split lines with many copyright years
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2020-01-08
Roland Schulz
Merge release-2019 into release-2020
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2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
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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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2019-09-19
ejjordan
Remove or update comments containing 'group scheme'
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2019-09-18
Szilárd Páll
Set up workload data structures
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2019-09-09
Szilárd Páll
Pass gmx::ForceFlags to CPU nbnxm dispatch code
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2019-09-09
Szilárd Páll
Pass the new gmx::ForceFlags to the nbnxm module
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2019-08-23
Mark Abraham
Update clang-tidy to clang version 8
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2019-08-22
Mark Abraham
Merge branch release-2019
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2019-08-20
Berk Hess
Use shiftForces in ForceOuputs
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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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2019-06-30
Szilárd Páll
Create dedicated subcounter for nonbonded FEP
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2019-06-28
Szilárd Páll
Separate CPU NB kernel and buffer clearing subcounters
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2019-06-18
Berk Hess
Make forcerec const in dispatchNonbondedKernel()
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2019-05-03
Berk Hess
Convert manage_threading_t and gmx_enerdata_t to C++
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2019-05-02
Berk Hess
Change nbnxm FEP pointer to unique_ptr
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2019-04-17
Berk Hess
Reduce nbnxm CPU kernel arguments
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2019-04-17
Berk Hess
Simplify nbnxm shift force handling
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2019-04-16
Szilárd Páll
Move functions operating on enerdata out of force.cpp
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2019-04-16
Berk Hess
Simplify nbnxm buffer clearing
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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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2019-03-02
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
Hide internals of nbnxm parlist
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2019-02-21
Berk Hess
Move free-energy kernel dispatch into nbnxm module
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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
Move nbnxm details from sim_util.cpp to module
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2019-02-16
Berk Hess
Move nbnxn files to nbnxm directory
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