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alexxy/gromacs.git
2015-05-21
Teemu Murtola
Restructure CommandLineModuleManager tests
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2015-05-21
Mark Abraham
Add integration test for empty domain
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2015-05-20
Teemu Murtola
Fix dependencies for regression test custom target
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2015-05-20
Teemu Murtola
Some tests for 'gmx help -export rst'
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2015-05-19
Mark Abraham
Add checks for correct use of SIMD headers.
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2015-05-19
Mark Abraham
Refactor FFTW setup
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2015-05-18
Teemu Murtola
Merge "Merge branch origin/release-5-0"
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2015-05-17
Erik Lindahl
Added hacks for SIMD rvec/load store in lincs & bondeds
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2015-05-17
Teemu Murtola
Move a few defines to buildinfo.h
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2015-05-17
Mark Abraham
Merge branch origin/release-5-0
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2015-05-16
Berk Hess
LINCS thread tasks can now be independent
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2015-05-16
Mark Abraham
Suppress GCC5 warnings with internal Boost
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2015-05-16
Magnus Lundborg
TNG version 1.7.5
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2015-05-16
Alexey Shvetsov
Make bond-atomtypes case sensitive
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2015-05-15
Szilard Pall
Assert the size of non-bonded GPU work units
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2015-05-14
Mark Abraham
Fix own-FFTW build
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2015-05-14
Szilard Pall
Merge release-4-6 into release-5-0
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2015-05-13
Berk Hess
Fixed CUDA error with empty domains
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2015-05-13
Mark Abraham
Version bumps after new release
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2015-05-13
Teemu Murtola
Remove remaining old-html content
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2015-05-13
Mark Abraham
Version 5.0.5
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2015-05-13
Berk Hess
Fix segv in g_covar
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2015-05-13
Szilard Pall
Fix auto-downloaded regression test execution
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2015-05-13
Roland Schulz
Facilitate linking of static binaries
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2015-05-12
Mark Abraham
Fix uninitialized fields in grompp t_state
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2015-05-12
Jochen Hub
OpenMP parallelization of g_wham
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2015-05-12
Rossen Apostolov
Added a note about sc-coul being auto turned on.
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2015-05-11
Mark Abraham
Work around gcc 5 warnings with Google Test
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2015-05-11
Berk Hess
Changed FFTW warning from AVX to no SSE
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2015-05-11
Teemu Murtola
Use single variable for expected Doxygen version
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2015-05-10
Mark Abraham
Merge "Merge branch release-5-0"
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2015-05-10
Teemu Murtola
Move some testutils and overview docs to dev guide
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2015-05-10
Teemu Murtola
Print correct order for include order/style issues
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2015-05-10
Teemu Murtola
Improve build system for Sphinx
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2015-05-10
Teemu Murtola
Convert developer manual to rst
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2015-05-09
Mark Abraham
Merge branch release-5-0
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2015-05-07
Berk Hess
Removed non-ff atomtypes from oplsaa and charmm27
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2015-05-06
Mark Abraham
Fixed recently-introduced couple-lambda warning message
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2015-05-06
Szilárd Páll
Merge "Merge release-4-6 into release-5-0" into release-5-0
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2015-05-06
Mark Abraham
Fix SIMD unit tests on BG/Q
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2015-05-05
Mark Abraham
Merge release-4-6 into release-5-0
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2015-05-05
Teemu Murtola
Avoid rounding errors affecting results in one test
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2015-05-05
Justin Lemkul
Fix for trjconv preserving box dimensions.
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2015-05-04
Berk Hess
Fixed GPU non-local F copy local conditional
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2015-04-30
Olivier Fisette
Fix error handling in gmx_tmpnam
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2015-04-30
Michael Shirts
Fix for rarely occuring replica exchange error.
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2015-04-30
Mark Abraham
Move GPU implementation to new interface
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2015-04-28
Berk Hess
Re-enabled FMA for AVX-128-FMA
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2015-04-28
Mark Abraham
Add application-clock NVML-based support for Quadro...
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2015-04-27
Mark Abraham
Clean up remnants in mdrun
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2015-04-24
Mark Abraham
Add developer docs for new documentation infrastructure
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2015-04-24
Teemu Murtola
Add section on naming conventions to dev manual
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2015-04-23
Mark Abraham
First beta release of 5.1
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2015-04-22
Berk Hess
Merge branch 'release-5-0'
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2015-04-21
Szilárd Páll
Allow manually setting target GPU architectures
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2015-04-21
Magnus Lundborg
TNG version 1.7.3
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2015-04-21
Mark Abraham
Merge "Merge branch release-5-0"
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2015-04-17
Berk Hess
Add value_ref and value to pull_coord_t
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2015-04-17
Szilárd Páll
define CUDA version and texobj support in config.h
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2015-04-17
Mark Abraham
Add comment about Andersen themostat and constraints
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2015-04-17
Berk Hess
Correct -ntmpi auto for intel nehalem and older
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2015-04-17
David van der...
Updated exponential fitting to make it robust.
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2015-04-09
Mark Abraham
Merge branch release-5-0
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2015-04-09
David van der...
Clarified comments for time-dependent electric fields.
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2015-04-08
David van der...
Fixed incorrect output of gb_algorith as sa_algorithm.
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2015-04-08
Berk Hess
Added pull geometry direction-relative
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2015-04-08
Mark Abraham
Update mdrun Doxygen
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2015-04-08
Mark Abraham
Made pme_work_t opaque
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2015-04-01
Mark Abraham
Initialize n_tricvec field of t_pbc always
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2015-04-01
Berk Hess
Corrected force-switch manual section
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2015-03-30
Erik Lindahl
Quote from Szilard's talk at GTC2015
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2015-03-30
Mark Abraham
Improved man-page machinery
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2015-03-25
Erik Lindahl
Quote from Jen-Hsun at the NVIDIA GTC conference 2015
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2015-03-19
Berk Hess
Removed reduction of dH/dl without FE
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2015-03-19
Mark Abraham
Made error message more generic
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2015-03-19
Mark Abraham
Extend Force sub-counters
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2015-03-17
Roland Schulz
Fix linking with static libxml2
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2015-03-13
Mark Abraham
Made GPU warning messages more user friendly
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2015-03-12
Berk Hess
Fixed mdrun fp exception with -debug
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2015-03-11
Berk Hess
Added update x copy-back to update timer
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2015-03-11
Berk Hess
Reduced cost of Berendsen pressure coupling
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2015-03-06
Berk Hess
Improve threading of bondeds
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2015-03-06
Mark Abraham
Restore wallcycle subcounter name to "Bonded F"
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2015-03-05
Mark Abraham
Fix Andersen thermostats
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2015-03-05
Berk Hess
Made DD exclusion processing more efficient
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2015-03-05
Berk Hess
SIMD acceleration for LINCS
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2015-03-04
Berk Hess
Allow pull groups of 1 atom with mass 0
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2015-03-04
Berk Hess
COM pulling options per coord, improved cylinder
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2015-03-04
Roland Schulz
Fix GCC5 warnings
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2015-03-03
Mark Abraham
Re-implement gmx tune_pme -cpi
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2015-03-03
Erik Lindahl
Added single-accuracy SIMD double math functions
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2015-03-03
Roland Schulz
nbnxn utils performance improvement for Phi
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2015-03-03
Berk Hess
Fix div by zero in PP/PME ratio
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2015-03-03
Mark Abraham
Move mdrun signalling code
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2015-03-03
Mark Abraham
Add test that plain multi-simulation works
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2015-03-02
David van der...
Updated documentation for electric fields.
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2015-03-02
Berk Hess
Added parentheses for casts in SIMD macros
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2015-03-02
Roland Schulz
Don't search installation prefix if binary is not found
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2015-03-02
Mark Abraham
Run replica-exchange tests with MPI enabled
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2015-03-02
Mark Abraham
Add infrastructure for running MPI integration tests
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