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Introduce nblib versioning
[alexxy/gromacs.git]
/
api
/
2020-10-30
Joe Jordan
Introduce nblib versioning
tree
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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.
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commitdiff
2020-10-21
Paul Bauer
Only build nblib tests when requested
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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...
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commitdiff
2020-10-15
Andrey Alekseenko
Increase tolerances for NBlibTest.SpcMethanolForcesAreC...
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commitdiff
2020-10-12
Gilles Gouaillardet
Fix nblib flags
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commitdiff
2020-10-09
Szilárd Páll
Fix NBLIB CMake error message
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commitdiff
2020-10-09
Andrey Alekseenko
api/nblib/tests/integrator.cpp: Minor changes
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commitdiff
2020-10-08
Andrey Alekseenko
NBlibTest/IntegratorWorks: Initialize x's and v's
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commitdiff
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
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commitdiff
2020-10-02
M. Eric Irrgang
Let gmxapi installation record the GROMACS library...
tree
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commitdiff
2020-09-30
Joe Jordan
Add nblib sample script
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commitdiff
2020-09-29
ejjordan
Fail gracefully when nblib cannot be built
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commitdiff
2020-09-29
Joe Jordan
Add nblib backend: Part 2 of 2
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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...
tree
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commitdiff
2020-09-28
Joe Jordan
Add nblib backend: Part 1 of 2
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commitdiff
2020-09-28
Joe Jordan
Add initial nblib public API
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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
2020-07-30
M. Eric Irrgang
Move sources for libgmxapi.
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commitdiff
2020-07-29
M. Eric Irrgang
Use GMXAPI CMake option guard for gmxapi target declara...
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commitdiff
2020-07-15
M. Eric Irrgang
Begin moving installed interface to `api/`
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commitdiff