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Minor code clean-up in the NB FEP kernel.
[alexxy/gromacs.git]
/
api
/
gmxapi
/
2021-10-18
Andrey Alekseenko
Merge release-2021 into master
tree
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commitdiff
2021-10-11
M. Eric Irrgang
Normalize API tests.
tree
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commitdiff
2021-10-08
M. Eric Irrgang
Add missing `#include`.
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commitdiff
2021-09-22
M. Eric Irrgang
Update MPI dependence for `gmxapi` target.
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commitdiff
2021-09-14
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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commitdiff
2021-09-12
M. Eric Irrgang
Remove MPI_LINKER_FLAGS.
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commitdiff
2021-08-19
Andrey Alekseenko
Merge remote-tracking branch 'origin/release-2021'...
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commitdiff
2021-06-29
Paul Bauer
Merge branch release-2021 into master
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commitdiff
2021-06-28
M. Eric Irrgang
Restore gmxapi._gmxapi.add_mdmodule() Python functionality.
tree
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commitdiff
2021-05-11
Mark Abraham
Apply clang-format-11
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commitdiff
2021-05-07
Paul Bauer
Merge branch release-2021 into merge-2021-into-master
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commitdiff
2021-03-19
Paul Bauer
Bulk change to const ref for mtop
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commitdiff
2021-03-05
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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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
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commitdiff
2021-02-11
M. Eric Irrgang
Use GmxManageMPI variables for gmxapi.
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commitdiff
2021-01-29
Roland Schulz
Use cxx mpi
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commitdiff
2021-01-29
Mark Abraham
Merge branch release-2021
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commitdiff
2021-01-07
Paul Bauer
Merge branch release-2020 into merge-2020-into-2021
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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.
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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commitdiff
2020-11-24
Paul Bauer
Merge branch 'origin/release-2020' into merge-2020...
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commitdiff
2020-11-16
M. Eric Irrgang
gmxapi versioning updates.
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commitdiff
2020-11-13
M. Eric Irrgang
Provide a catch-all target for library modules.
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commitdiff
2020-11-12
M. Eric Irrgang
Provide common library headers through new CMake target.
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commitdiff
2020-11-09
M. Eric Irrgang
Help clients find dependencies of imported CMake targets.
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commitdiff
2020-11-05
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
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commitdiff
2020-11-04
Mark Abraham
Remove logging from hardware detection
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commitdiff
2020-11-02
M. Eric Irrgang
Remove an unnecessary transitive dependency of imported...
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commitdiff
2020-10-27
M. Eric Irrgang
Normalize FindMPI hints.
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commitdiff
2020-10-27
M. Eric Irrgang
Clarify behavior of LegacyMdrunOptions.
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commitdiff
2020-10-26
M. Eric Irrgang
Tell gmxapi to look for MPI, when appropriate.
tree
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commitdiff
2020-10-23
Mark Abraham
Merge branch release-2021
tree
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commitdiff
2020-10-20
M. Eric Irrgang
Update gmxapi version details.
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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
2020-10-02
M. Eric Irrgang
Let gmxapi installation record the GROMACS library...
tree
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commitdiff
2020-09-29
M. Eric Irrgang
Clarifications for ResourceAssignment interface.
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commitdiff
2020-09-29
M. Eric Irrgang
Support ResourceAssignment interface for tMPI library...
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commitdiff
2020-09-29
M. Eric Irrgang
Allow MPI-enabled clients to provide the library commun...
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commitdiff
2020-09-29
M. Eric Irrgang
Use MpiContextManager to provide MPI communicator.
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commitdiff
2020-09-29
M. Eric Irrgang
Relocate MpiContextManager.
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commitdiff
2020-09-29
M. Eric Irrgang
Interface updates allowing client to provide MPI commun...
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commitdiff
2020-09-14
M. Eric Irrgang
Create and use SimulationInput module.
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commitdiff
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
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commitdiff
2020-08-18
M. Eric Irrgang
Allow more granularity for public interfaces in build...
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commitdiff