biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first
⋅
prev
⋅ next
Fix random typos
[alexxy/gromacs.git]
/
api
/
2020-11-22
Christoph Junghans
cmake: add trxio.h to legacy api interface
tree
|
commitdiff
2020-11-17
Joe Jordan
Remove some extraneous compiler flags from nblib
tree
|
commitdiff
2020-11-16
M. Eric Irrgang
gmxapi versioning updates.
tree
|
commitdiff
2020-11-13
M. Eric Irrgang
Provide a catch-all target for library modules.
tree
|
commitdiff
2020-11-12
M. Eric Irrgang
Provide common library headers through new CMake target.
tree
|
commitdiff
2020-11-10
Paul Bauer
Disable failing NB-LIB listed forces tests
tree
|
commitdiff
2020-11-10
kanduri
NBLIB: Fix build warning from uninitialized array
tree
|
commitdiff
2020-11-09
Joe Jordan
Add backend for nblib listed forces API
tree
|
commitdiff
2020-11-09
M. Eric Irrgang
Help clients find dependencies of imported CMake targets.
tree
|
commitdiff
2020-11-05
Paul Bauer
Merge branch 'origin/release-2021' into merge-2021...
tree
|
commitdiff
2020-11-04
Mark Abraham
Remove logging from hardware detection
tree
|
commitdiff
2020-11-04
Joe Jordan
NBLIB listed forces API update
tree
|
commitdiff
2020-11-04
M. Eric Irrgang
Establish `api/` as the home for installed headers.
tree
|
commitdiff
2020-11-02
ejjordan
Update to nblib non-bonded backend
tree
|
commitdiff
2020-11-02
M. Eric Irrgang
Remove an unnecessary transitive dependency of imported...
tree
|
commitdiff
2020-10-30
Joe Jordan
Introduce nblib versioning
tree
|
commitdiff
2020-10-27
M. Eric Irrgang
Normalize FindMPI hints.
tree
|
commitdiff
2020-10-27
M. Eric Irrgang
Clarify behavior of LegacyMdrunOptions.
tree
|
commitdiff
2020-10-26
M. Eric Irrgang
Tell gmxapi to look for MPI, when appropriate.
tree
|
commitdiff
2020-10-23
Mark Abraham
Merge branch release-2021
tree
|
commitdiff
2020-10-21
Paul Bauer
Only build nblib tests when requested
tree
|
commitdiff
2020-10-20
M. Eric Irrgang
Update gmxapi version details.
tree
|
commitdiff
2020-10-20
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
tree
|
commitdiff
2020-10-15
Andrey Alekseenko
Increase tolerances for NBlibTest.SpcMethanolForcesAreC...
tree
|
commitdiff
2020-10-12
Gilles Gouaillardet
Fix nblib flags
tree
|
commitdiff
2020-10-09
Szilárd Páll
Fix NBLIB CMake error message
tree
|
commitdiff
2020-10-09
Andrey Alekseenko
api/nblib/tests/integrator.cpp: Minor changes
tree
|
commitdiff
2020-10-08
Andrey Alekseenko
NBlibTest/IntegratorWorks: Initialize x's and v's
tree
|
commitdiff
2020-10-07
Paul Bauer
Merge branch 'origin/release-2020' into merge-release...
tree
|
commitdiff
2020-10-02
M. Eric Irrgang
Let gmxapi installation record the GROMACS library...
tree
|
commitdiff
2020-09-30
Joe Jordan
Add nblib sample script
tree
|
commitdiff
2020-09-29
ejjordan
Fail gracefully when nblib cannot be built
tree
|
commitdiff
2020-09-29
Joe Jordan
Add nblib backend: Part 2 of 2
tree
|
commitdiff
2020-09-29
M. Eric Irrgang
Clarifications for ResourceAssignment interface.
tree
|
commitdiff
2020-09-29
M. Eric Irrgang
Support ResourceAssignment interface for tMPI library...
tree
|
commitdiff
2020-09-29
M. Eric Irrgang
Allow MPI-enabled clients to provide the library commun...
tree
|
commitdiff
2020-09-29
M. Eric Irrgang
Use MpiContextManager to provide MPI communicator.
tree
|
commitdiff
2020-09-29
M. Eric Irrgang
Relocate MpiContextManager.
tree
|
commitdiff
2020-09-29
M. Eric Irrgang
Interface updates allowing client to provide MPI commun...
tree
|
commitdiff
2020-09-28
Joe Jordan
Add nblib backend: Part 1 of 2
tree
|
commitdiff
2020-09-28
Joe Jordan
Add initial nblib public API
tree
|
commitdiff
2020-09-14
M. Eric Irrgang
Create and use SimulationInput module.
tree
|
commitdiff
2020-08-31
Paul Bauer
Merge branch 'release-2020' into master
tree
|
commitdiff
2020-08-18
M. Eric Irrgang
Allow more granularity for public interfaces in build...
tree
|
commitdiff
2020-07-30
M. Eric Irrgang
Move sources for libgmxapi.
tree
|
commitdiff
2020-07-29
M. Eric Irrgang
Use GMXAPI CMake option guard for gmxapi target declara...
tree
|
commitdiff
2020-07-15
M. Eric Irrgang
Begin moving installed interface to `api/`
tree
|
commitdiff