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SYCL: Avoid using no_init read accessor in rocFFT
[alexxy/gromacs.git]
/
src
/
gromacs
/
nbnxm
/ pairlist.cpp
2021-11-03
Andrey Alekseenko
Fix random typos
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2021-10-18
Andrey Alekseenko
Merge release-2021 into master
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2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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2021-06-29
Paul Bauer
Merge branch release-2021 into master
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2021-05-07
Berk Hess
Make debug printing work with empty domains
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2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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2021-04-20
Joe Jordan
Use enum class for gmx_omp_nthreads
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2021-04-12
Joe Jordan
Replace defines with constexpr in ishift
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2021-03-15
Paul Bauer
Move M_PI definition to math/units.h
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2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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2021-02-22
ejjordan
remove InteractionLocality from PairListSet constructor
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2021-02-20
Joe Jordan
Remove unsed structs from nblist and use vector in...
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2021-02-12
Mark Abraham
Merge branch release-2021 into master
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2021-02-11
Andrey Alekseenko
Fix clang-tidy-11 errors in NBNXM module, part 3
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2021-02-10
Andrey Alekseenko
Fix clang-tidy-11 errors in NBNXM module, part 1
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2021-02-03
Mark Abraham
Remove support for Intel classic compiler
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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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2020-11-05
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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2020-10-27
Paul Bauer
Mix minor clang-tidy warning in double
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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
Roland Schulz
Fix Visual Studio build
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2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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2020-08-04
Alan Gray
Fix compilation issue: pass variable of expected type...
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2020-07-29
Kevin Boyd
Fix undefined behavior flagged by UBSAN
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2020-06-18
Berk Hess
Convert t_forcetable to C++
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2020-06-08
Kevin Boyd
Replace nbnxn_buffer_flags_t with vector
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2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
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2020-04-21
Mark Abraham
Fix warnings with clang 9
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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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2020-01-28
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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2020-01-13
Berk Hess
Avoid unnecessary exclusion generation in DD
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2020-01-09
Artem Zhmurov
Make PBC type enumeration into PbcType enum class
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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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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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2019-12-16
Berk Hess
Use ListOfLists in gmx_mtop_t and gmx_localtop_t
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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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2019-10-03
Berk Hess
Use gmx::Range for iZones in pair search
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2019-10-01
Berk Hess
Use gmx::Range in domdec
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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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2019-09-12
Berk Hess
Enable TPI with the Verlet cut-off scheme
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2019-08-26
Mark Abraham
Fix pairlist bug
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2019-08-25
Szilárd Páll
Further fixes for clang-tidy clang version 8
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2019-08-23
Szilárd Páll
Fix clang-tidy warnings in the OpenCL build
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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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2019-08-16
Mark Abraham
Stop nbnxm/grid.h depending on SIMD module
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2019-08-08
Mark Abraham
Fix estimate of the size of a j list
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2019-08-01
Berk Hess
Fix nbnxm GPU memory reservation issue
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2019-08-01
Mark Abraham
Merge "Merge release-2019 into master"
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2019-08-01
Paul Bauer
Merge release-2019 into master
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2019-05-02
Berk Hess
Change nbnxm FEP pointer to unique_ptr
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2019-04-18
Berk Hess
Remove nbnxm kernel type from pairlist generation
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2019-04-17
Berk Hess
Remove group scheme search code
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2019-03-28
Berk Hess
Move PairlistSet declaration
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2019-03-28
Berk Hess
Move nbnxm domainSetup to GridSet
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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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2019-03-15
Berk Hess
Extract DomainSetup from nbnxn_search
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2019-03-14
Berk Hess
Change nbnxm macros to constexpr
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2019-03-14
Berk Hess
Add nbnxm GridSet class
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2019-03-06
Berk Hess
Clean up nbnxm bounding box functions
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2019-03-06
Berk Hess
Clean up nbnxm bounding boxes
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2019-03-06
Berk Hess
Convert nbnxm bounding box to a struct
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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
Hide internals of nbnxm parlist
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2019-02-21
Berk Hess
Minor nbnxm cleanup
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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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