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Basic support for titles within tool help
[alexxy/gromacs.git]
/
src
/
2015-06-04
Teemu Murtola
Basic support for titles within tool help
tree
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commitdiff
2015-06-04
Teemu Murtola
Support rst tables in tool help texts
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commitdiff
2015-06-03
Roland Schulz
Use stack buffer for LINCS&bonded gather/scatter
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commitdiff
2015-06-02
Rossen Apostolov
Converted random module to C++.
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commitdiff
2015-05-28
Teemu Murtola
Improve lists in user guide for selections
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commitdiff
2015-05-28
Teemu Murtola
Additional selection examples
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commitdiff
2015-05-27
Berk Hess
Refactoring of PME load balancing
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commitdiff
2015-05-27
Mark Abraham
Fix warnings from GCC 5
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commitdiff
2015-05-27
Rossen Apostolov
Converted pulling code to C++.
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commitdiff
2015-05-26
Mark Abraham
Avoid possible floating-point exception
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commitdiff
2015-05-26
Mark Abraham
Convert ewald module to C++
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commitdiff
2015-05-25
Teemu Murtola
Overview docs for analysis nbsearch
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commitdiff
2015-05-24
Teemu Murtola
Include selection keyword details in user guide
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commitdiff
2015-05-23
Berk Hess
Removed static from variables in gmx_lapack
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commitdiff
2015-05-22
Teemu Murtola
Allow any order for sections in 'gmx help -export'
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commitdiff
2015-05-22
Teemu Murtola
Base to get all 'gmx help' contents to user guide
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commitdiff
2015-05-22
Teemu Murtola
Merge release-5-0 into master
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commitdiff
2015-05-22
Teemu Murtola
Avoid crash with empty reference for 'same as' selection
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commitdiff
2015-05-22
Teemu Murtola
Add subsection depth to HelpWriterContext
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commitdiff
2015-05-22
Teemu Murtola
Add note about atom order in selections
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commitdiff
2015-05-21
Teemu Murtola
Restructure CommandLineModuleManager tests
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commitdiff
2015-05-21
Mark Abraham
Add integration test for empty domain
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commitdiff
2015-05-20
Teemu Murtola
Fix handling of real-valued 'to' selection ranges
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commitdiff
2015-05-20
Teemu Murtola
Some tests for 'gmx help -export rst'
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commitdiff
2015-05-19
Mark Abraham
Add checks for correct use of SIMD headers.
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commitdiff
2015-05-19
Mark Abraham
Refactor FFTW setup
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commitdiff
2015-05-18
Teemu Murtola
Merge "Merge branch origin/release-5-0"
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commitdiff
2015-05-17
Erik Lindahl
Added hacks for SIMD rvec/load store in lincs & bondeds
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commitdiff
2015-05-17
Teemu Murtola
Move a few defines to buildinfo.h
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commitdiff
2015-05-17
Mark Abraham
Merge branch origin/release-5-0
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commitdiff
2015-05-16
Berk Hess
LINCS thread tasks can now be independent
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commitdiff
2015-05-16
Mark Abraham
Suppress GCC5 warnings with internal Boost
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commitdiff
2015-05-16
Magnus Lundborg
TNG version 1.7.5
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commitdiff
2015-05-16
Alexey Shvetsov
Make bond-atomtypes case sensitive
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commitdiff
2015-05-15
Szilard Pall
Assert the size of non-bonded GPU work units
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commitdiff
2015-05-14
Mark Abraham
Fix own-FFTW build
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commitdiff
2015-05-14
Szilard Pall
Merge release-4-6 into release-5-0
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commitdiff
2015-05-13
Berk Hess
Fixed CUDA error with empty domains
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commitdiff
2015-05-13
Berk Hess
Fix segv in g_covar
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commitdiff
2015-05-12
Mark Abraham
Fix uninitialized fields in grompp t_state
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commitdiff
2015-05-12
Jochen Hub
OpenMP parallelization of g_wham
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commitdiff
2015-05-11
Mark Abraham
Work around gcc 5 warnings with Google Test
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commitdiff
2015-05-10
Mark Abraham
Merge "Merge branch release-5-0"
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commitdiff
2015-05-10
Teemu Murtola
Move some testutils and overview docs to dev guide
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commitdiff
2015-05-09
Mark Abraham
Merge branch release-5-0
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commitdiff
2015-05-06
Mark Abraham
Fixed recently-introduced couple-lambda warning message
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commitdiff
2015-05-06
Szilárd Páll
Merge "Merge release-4-6 into release-5-0" into release-5-0
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commitdiff
2015-05-05
Mark Abraham
Merge release-4-6 into release-5-0
tree
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commitdiff
2015-05-05
Teemu Murtola
Avoid rounding errors affecting results in one test
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commitdiff
2015-05-05
Justin Lemkul
Fix for trjconv preserving box dimensions.
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commitdiff
2015-05-04
Berk Hess
Fixed GPU non-local F copy local conditional
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commitdiff
2015-04-30
Olivier Fisette
Fix error handling in gmx_tmpnam
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commitdiff
2015-04-30
Michael Shirts
Fix for rarely occuring replica exchange error.
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commitdiff
2015-04-30
Mark Abraham
Move GPU implementation to new interface
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commitdiff
2015-04-28
Berk Hess
Re-enabled FMA for AVX-128-FMA
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commitdiff
2015-04-28
Mark Abraham
Add application-clock NVML-based support for Quadro...
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commitdiff
2015-04-27
Mark Abraham
Clean up remnants in mdrun
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commitdiff
2015-04-23
Mark Abraham
First beta release of 5.1
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commitdiff
2015-04-22
Berk Hess
Merge branch 'release-5-0'
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commitdiff
2015-04-21
Magnus Lundborg
TNG version 1.7.3
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commitdiff
2015-04-21
Mark Abraham
Merge "Merge branch release-5-0"
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commitdiff
2015-04-17
Berk Hess
Add value_ref and value to pull_coord_t
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commitdiff
2015-04-17
Szilárd Páll
define CUDA version and texobj support in config.h
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commitdiff
2015-04-17
Mark Abraham
Add comment about Andersen themostat and constraints
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commitdiff
2015-04-17
Berk Hess
Correct -ntmpi auto for intel nehalem and older
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commitdiff
2015-04-17
David van der Spoel
Updated exponential fitting to make it robust.
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commitdiff
2015-04-09
Mark Abraham
Merge branch release-5-0
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commitdiff
2015-04-09
David van der Spoel
Clarified comments for time-dependent electric fields.
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commitdiff
2015-04-08
David van der Spoel
Fixed incorrect output of gb_algorith as sa_algorithm.
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commitdiff
2015-04-08
Berk Hess
Added pull geometry direction-relative
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commitdiff
2015-04-08
Mark Abraham
Update mdrun Doxygen
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commitdiff
2015-04-08
Mark Abraham
Made pme_work_t opaque
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commitdiff
2015-04-01
Mark Abraham
Initialize n_tricvec field of t_pbc always
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commitdiff
2015-03-19
Berk Hess
Removed reduction of dH/dl without FE
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commitdiff
2015-03-19
Mark Abraham
Made error message more generic
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commitdiff
2015-03-19
Mark Abraham
Extend Force sub-counters
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commitdiff
2015-03-13
Mark Abraham
Made GPU warning messages more user friendly
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commitdiff
2015-03-12
Berk Hess
Fixed mdrun fp exception with -debug
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commitdiff
2015-03-11
Berk Hess
Added update x copy-back to update timer
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commitdiff
2015-03-11
Berk Hess
Reduced cost of Berendsen pressure coupling
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commitdiff
2015-03-06
Berk Hess
Improve threading of bondeds
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commitdiff
2015-03-06
Mark Abraham
Restore wallcycle subcounter name to "Bonded F"
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commitdiff
2015-03-05
Mark Abraham
Fix Andersen thermostats
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commitdiff
2015-03-05
Berk Hess
Made DD exclusion processing more efficient
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commitdiff
2015-03-05
Berk Hess
SIMD acceleration for LINCS
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commitdiff
2015-03-04
Berk Hess
Allow pull groups of 1 atom with mass 0
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commitdiff
2015-03-04
Berk Hess
COM pulling options per coord, improved cylinder
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commitdiff
2015-03-04
Roland Schulz
Fix GCC5 warnings
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commitdiff
2015-03-03
Mark Abraham
Re-implement gmx tune_pme -cpi
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commitdiff
2015-03-03
Erik Lindahl
Added single-accuracy SIMD double math functions
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commitdiff
2015-03-03
Roland Schulz
nbnxn utils performance improvement for Phi
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commitdiff
2015-03-03
Berk Hess
Fix div by zero in PP/PME ratio
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commitdiff
2015-03-03
Mark Abraham
Move mdrun signalling code
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commitdiff
2015-03-03
Mark Abraham
Add test that plain multi-simulation works
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commitdiff
2015-03-02
David van der Spoel
Updated documentation for electric fields.
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commitdiff
2015-03-02
Berk Hess
Added parentheses for casts in SIMD macros
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commitdiff
2015-03-02
Roland Schulz
Don't search installation prefix if binary is not found
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commitdiff
2015-03-02
Mark Abraham
Run replica-exchange tests with MPI enabled
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commitdiff
2015-03-02
Mark Abraham
Add infrastructure for running MPI integration tests
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commitdiff
2015-02-25
Roland Schulz
C++ conversion for PME spread/gather
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commitdiff
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