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Unify handling of GMX_ENABLE_GPU_TIMING and GMX_DISABLE_GPU_TIMING
[alexxy/gromacs.git]
/
src
/
gromacs
/
pbcutil
/
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
tree
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commitdiff
2021-09-23
Mark Abraham
Initialize t_inputrec properly
tree
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commitdiff
2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
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commitdiff
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
tree
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commitdiff
2021-08-09
Artem Zhmurov
Add SYCL SETTLE kernel
tree
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commitdiff
2021-08-03
Mark Abraham
Update bundled GoogleTest to current HEAD
tree
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commitdiff
2021-07-02
Andrey Alekseenko
Avoid passing a temporary object to emplace_back
tree
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commitdiff
2021-06-29
Paul Bauer
Merge branch release-2021 into master
tree
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commitdiff
2021-05-27
Artem Zhmurov
Rename GpuBonded into ListedForcesGpu
tree
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commitdiff
2021-05-24
Paul Bauer
Apply clang-tidy-11 fixes to CUDA files
tree
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commitdiff
2021-05-15
Paul Bauer
Use InheritParentConfig: true in clang-tidy files
tree
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commitdiff
2021-05-11
Mark Abraham
Apply clang-format-11
tree
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commitdiff
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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commitdiff
2021-05-05
Paul Bauer
Apply misc clang-tidy-11 fixes
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commitdiff
2021-04-22
Andrey Alekseenko
Fix buffer overrun when invalid value passed to numPbcD...
tree
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commitdiff
2021-04-12
Joe Jordan
Replace defines with constexpr in ishift
tree
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commitdiff
2021-03-30
kanduri
Turn t_forcerec.shift_vec into an std::vector of gmx...
tree
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commitdiff
2021-03-23
ejjordan
Forward declare ArrayRef more and inlcude basedefinitio...
tree
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commitdiff
2021-03-09
Joe Jordan
Use constexpr for physical constants and move them...
tree
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commitdiff
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
tree
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commitdiff
2021-02-12
Mark Abraham
Merge branch release-2021 into master
tree
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commitdiff
2021-02-12
Mark Abraham
Improve CUDA codegen flags
tree
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commitdiff
2021-02-10
Berk Hess
Fix gmx_rmpbc_init with InteractionDefinitions
tree
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commitdiff
2021-01-29
Mark Abraham
Remove PrivateImplPointer in favour of std::unique_ptr
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commitdiff
2021-01-29
Mark Abraham
Merge branch release-2021
tree
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commitdiff
2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
tree
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commitdiff
2020-12-18
Mark Abraham
Merge branch release-2021
tree
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commitdiff
2020-12-16
M. Eric Irrgang
Apply re-formatting to C++ in src/ tree.
tree
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
tree
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
tree
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commitdiff
2020-11-20
M. Eric Irrgang
Create CMake targets for each of the modules.
tree
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commitdiff
2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
tree
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commitdiff
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
tree
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commitdiff
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
tree
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commitdiff
2020-07-15
Alexey Shvetsov
Allow to compile template with gmx-lagacyapi enabled
tree
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commitdiff
2020-07-07
Christian Blau
Move finalising routine into mtop
tree
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commitdiff
2020-06-09
Paul Bauer
Extract COM handling from trjconv
tree
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commitdiff
2020-05-06
Paul Bauer
Merge branch 'origin/release-2020' into master
tree
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commitdiff
2020-04-03
M. Eric Irrgang
Prune change-management.rst and update links.
tree
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commitdiff
2020-03-19
Berk Hess
Remove at_start from t_graph
tree
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commitdiff
2020-03-18
Berk Hess
Remove use of graph in do_force()
tree
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commitdiff
2020-03-17
Berk Hess
Convert t_graph to C++
tree
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commitdiff
2020-03-11
Berk Hess
Add tests for graph
tree
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commitdiff
2020-03-06
Mark Abraham
Simplify compiling GPU code for tests
tree
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commitdiff
2020-03-05
Berk Hess
Add InteractionDefinitions
tree
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commitdiff
2020-03-04
Paul Bauer
Merge branch release-2020 into master
tree
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commitdiff
2020-02-28
Paul Bauer
Merge branch release-2019 into release-2020
tree
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commitdiff
2020-02-20
Artem Zhmurov
Use CUDA float3 vector type instead of fvec in GPU...
tree
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commitdiff
2020-01-28
Paul Bauer
Merge branch origin/release-2020 into master
tree
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commitdiff
2020-01-15
Christoph Junghans
cmake: install pbc.h for GMX_INSTALL_LEGACY_API
tree
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commitdiff
2020-01-09
Artem Zhmurov
Make PBC type enumeration into PbcType enum class
tree
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commitdiff
2020-01-09
Mark Abraham
Split lines with many copyright years
tree
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commitdiff
2020-01-08
Roland Schulz
Merge release-2019 into release-2020
tree
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commitdiff
2019-12-27
Paul Bauer
Merge origin/release-2019 into release-2020
tree
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commitdiff
2019-11-29
Mark Abraham
Merge branch release-2019 into release-2020
tree
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commitdiff
2019-11-20
Paul Bauer
Merge 'origin/release-2019' into release-2020
tree
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commitdiff
2019-11-07
Paul Bauer
Apply clang-format to source tree
tree
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commitdiff
2019-10-29
Paul Bauer
Merge branch 'release-2019' into master
tree
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commitdiff
2019-10-01
Berk Hess
Completely remove charge groups
tree
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commitdiff
2019-09-25
Szilárd Páll
Merge remote-tracking branch 'origin/release-2019'
tree
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commitdiff
2019-09-24
Paul Bauer
Merge branch release-2019 into master
tree
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commitdiff
2019-08-26
Paul Bauer
Remove installed headers from CMake
tree
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commitdiff
2019-08-22
Mark Abraham
Merge branch release-2019
tree
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commitdiff
2019-08-20
Mark Abraham
Apply clang-tidy-8 readability-uppercase-literal-suffix
tree
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commitdiff
2019-08-16
Mark Abraham
Update testing matrices and fix warnings
tree
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commitdiff
2019-08-15
Mark Abraham
Remove run-time check from calc_shifts
tree
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commitdiff
2019-08-05
Paul Bauer
Add replacements for pbc enumerations
tree
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commitdiff
2019-08-01
Paul Bauer
Merge release-2019 into master
tree
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commitdiff
2019-07-17
Paul Bauer
Move methods out from trjconv
tree
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commitdiff
2019-07-05
Artem Zhmurov
Remove PImpl scaffolding from CUDA version of LINCS
tree
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commitdiff
2019-06-14
Paul Bauer
Merge branch release-2018 into release-2019
tree
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commitdiff
2019-03-27
Prashanth Kanduri
Moving put_atoms_in_box_omp() to pbc.h
tree
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commitdiff
2019-03-13
Artem Zhmurov
Basic routines to handle periodic boundary.
tree
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commitdiff
2019-03-02
Mark Abraham
Merge branch release-2019
tree
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commitdiff
2019-02-26
Berk Hess
Clean up mtop pbc functions
tree
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commitdiff
2019-02-25
Prashanth Kanduri
Moving do_pbc_mtop(...) functions to pbcutils from...
tree
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commitdiff
2019-02-20
Paul Bauer
Merge branch 'release-2019' into master
tree
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commitdiff
2019-02-19
Artem Zhmurov
PBC setup for GPU is moved into pbcutils.
tree
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commitdiff
2019-02-07
Roland Schulz
Revert size to be unsigned for ArrayRef
tree
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commitdiff
2019-02-04
Roland Schulz
Rename all source files from - to _ for consistency.
tree
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commitdiff
2019-01-30
Mark Abraham
Merge remote branch release-2018 into release-2019
tree
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commitdiff
2019-01-23
Roland Schulz
Merge release-2018 into release-2019
tree
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commitdiff
2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
tree
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commitdiff
2018-12-19
Paul Bauer
Merge "Merge release-2019 branch into master"
tree
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commitdiff
2018-12-18
Szilárd Páll
Merge release-2019 branch into master
tree
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commitdiff
2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
tree
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commitdiff
2018-11-28
Mark Abraham
Introduce GpuBonded
tree
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commitdiff
2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
tree
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commitdiff
2018-11-20
Mark Abraham
Merge "Merge release-2019 into master"
tree
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commitdiff
2018-11-16
Roland Schulz
Merge release-2019 into master
tree
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commitdiff
2018-10-31
Jonathan Vincent
Add CUDA bonded kernels
tree
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commitdiff
2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
tree
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commitdiff
2018-09-14
Berk Hess
Change gmx_moltype_t.ilist to InteractionLists
tree
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commitdiff
2018-09-13
Berk Hess
Add C++ version of t_ilist
tree
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commitdiff
2018-09-11
Roland Schulz
Compile nonbonded kernels as C++
tree
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commitdiff
2018-09-09
Mark Abraham
Change TopologyInformation implementation
tree
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commitdiff
2018-08-29
Mark Abraham
Merge branch release-2018
tree
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commitdiff
2018-08-24
Mark Abraham
Merge branch release-2018
tree
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commitdiff
2018-08-18
Roland Schulz
readability-implicit-bool-conversion 2/2
tree
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commitdiff
2018-08-18
Roland Schulz
clang-tidy modernize
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commitdiff
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