biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Require 2015 version for MSVC
2016-03-10
Mark Abraham
Require 2015 version for MSVC
commit
|
commitdiff
|
tree
2016-02-27
Berk Hess
Remove epsfac from GPU kernel inner-loops
commit
|
commitdiff
|
tree
2016-02-23
Mark Abraham
Replace cppcheck suppression in checkpoint code
commit
|
commitdiff
|
tree
2016-02-16
Mark Abraham
Merge branch release-5-0 into release-5-1
commit
|
commitdiff
|
tree
2016-02-14
Mark Abraham
Re-generated eps for figure 4.8
commit
|
commitdiff
|
tree
2016-02-10
Mark Abraham
Re-remove *_stochd_state function declarations
commit
|
commitdiff
|
tree
2016-02-10
Erik Lindahl
Scalar functions mimicking the SIMD interface
commit
|
commitdiff
|
tree
2016-02-08
Mark Abraham
Merge branch release-5-0 into release-5-1
commit
|
commitdiff
|
tree
2016-02-06
Mark Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Bumped patch number to prepare for future 5.1.3 release
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Version 5.1.2
commit
|
commitdiff
|
tree
2016-02-03
Mark Abraham
Merge release-5-0 into release-5-1
commit
|
commitdiff
|
tree
2016-01-28
Mark Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-01-28
Mark Abraham
Avoid FP exception
commit
|
commitdiff
|
tree
2016-01-27
Mark Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-01-27
Mark Abraham
Remove bNotLastFrame
commit
|
commitdiff
|
tree
2016-01-26
Mark Abraham
Fix default for GMX_USE_NVML
commit
|
commitdiff
|
tree
2016-01-25
Mark Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-01-12
Mark Abraham
Merge branch release-5-0 into release-5-1
commit
|
commitdiff
|
tree
2016-01-08
Mark Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Fix some mdrun header dependencies
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Avoid more C++ bindings for MPI
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Stop using UNDEFINED as name of a symbol
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Remove fields used only for SD2
commit
|
commitdiff
|
tree
2016-01-07
Mark Abraham
Backport md-vv fixes
commit
|
commitdiff
|
tree
2016-01-06
Mark Abraham
Fix spurious gcc warning
commit
|
commitdiff
|
tree
2015-12-29
Berk Hess
Correct vector check of gmx check
commit
|
commitdiff
|
tree
2015-12-29
Teemu Murtola
Packaging build script for web site
commit
|
commitdiff
|
tree
2015-12-28
Mark Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2015-12-27
Mark Abraham
Fix some OpenCL issues
commit
|
commitdiff
|
tree
2015-12-27
Berk Hess
Reorganized domdec initialization
commit
|
commitdiff
|
tree
2015-12-24
Mark Abraham
Shell code cleanup
commit
|
commitdiff
|
tree
2015-12-24
Erik Lindahl
IBM Power6 VMX extended SIMD
commit
|
commitdiff
|
tree
2015-12-17
Mark Abraham
Simplified energy-summation code
commit
|
commitdiff
|
tree
2015-12-16
Berk Hess
Add one element to state rvec arrays
commit
|
commitdiff
|
tree
2015-12-15
Erik Lindahl
C++ math function cleanup
commit
|
commitdiff
|
tree
2015-12-15
Teemu Murtola
Move main.*, splitter.*, gmx_omp_nthreads.* to mdlib
commit
|
commitdiff
|
tree
2015-12-15
Teemu Murtola
Move readinp.* and warninp.* to fileio/
commit
|
commitdiff
|
tree
2015-12-15
Teemu Murtola
Move hardware detection to hardware/
commit
|
commitdiff
|
tree
2015-12-15
Teemu Murtola
Move some mdrun code out of gmxlib/
commit
|
commitdiff
|
tree
2015-12-12
Teemu Murtola
Move disre.* and orires.* to listed-forces/
commit
|
commitdiff
|
tree
2015-12-12
Teemu Murtola
Move put_atoms_in_box_omp() to sim_util.*
commit
|
commitdiff
|
tree
2015-12-12
Teemu Murtola
Remove topology -> fileio dependency
commit
|
commitdiff
|
tree
2015-12-10
Mark Abraham
Merge branch 'origin/release-5-1'
commit
|
commitdiff
|
tree
2015-12-08
Mark Abraham
Merge branch 'release-5-0' into release-5-1
commit
|
commitdiff
|
tree
2015-12-08
Mark Abraham
Fix Trotter integration
commit
|
commitdiff
|
tree
2015-12-03
Mark Abraham
Remove mdrun -compact
commit
|
commitdiff
|
tree
2015-12-03
Teemu Murtola
Move strdb.* to utility/
commit
|
commitdiff
|
tree
2015-12-02
Berk Hess
Made t_inputrec const in PME load balancing
commit
|
commitdiff
|
tree
2015-12-02
Mark Abraham
Remove twin-range scheme
commit
|
commitdiff
|
tree
2015-11-30
Mark Abraham
Refactor hardware information management
commit
|
commitdiff
|
tree
2015-11-25
Elton Carvalho
Rotate Figure 8.2 in manual.
commit
|
commitdiff
|
tree
2015-11-24
Mark Abraham
Fix error in multi-sim communication
commit
|
commitdiff
|
tree
2015-11-23
Mark Abraham
Update and expand pre-submit commit matrix
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Remove t_adress
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Removed state_global from mdrun energy-summation
commit
|
commitdiff
|
tree
2015-11-16
Mark Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2015-11-15
Mark Abraham
Remove AdResS
commit
|
commitdiff
|
tree
2015-11-11
Mark Abraham
Merge release-5-0 into release-5-1
commit
|
commitdiff
|
tree
2015-11-10
Mark Abraham
Bump patch version to prepare for 5.1.2
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Even less moving from unique_ptr
commit
|
commitdiff
|
tree
2015-11-04
Mark Abraham
Version 5.1.1
commit
|
commitdiff
|
tree
2015-10-28
Mark Abraham
Suppress warnings when we have OpenCL 2.0 support
commit
|
commitdiff
|
tree
2015-10-15
Szilárd Páll
Add CUDA nvcc >=7.0 support
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
Merge release-5-0 into release-5-1
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
Version bumps after release
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
Simplify genconf
commit
|
commitdiff
|
tree
2015-10-14
Mark Abraham
Version 5.0.7
commit
|
commitdiff
|
tree
2015-10-13
Mark Abraham
Merge branch release-4-6 into release-5-0
commit
|
commitdiff
|
tree
2015-10-13
Erik Lindahl
Replace GROMACS-specific math functions with C++11...
commit
|
commitdiff
|
tree
2015-10-07
Mark Abraham
Merge branch release-5-1 into master
commit
|
commitdiff
|
tree
2015-10-07
Mark Abraham
Fixed FFTW detection status message location
commit
|
commitdiff
|
tree
2015-10-05
Mark Abraham
Merge release-5-0 into release-5-1
commit
|
commitdiff
|
tree
2015-10-02
Mark Abraham
Temporarily test on a machine with only two GPUs
commit
|
commitdiff
|
tree
2015-09-28
Mark Abraham
Eliminate use of typedefs.h in kernel C code
commit
|
commitdiff
|
tree
2015-09-26
Mark Abraham
Fix reaction-field warning message
commit
|
commitdiff
|
tree
2015-09-22
Teemu Murtola
Move oenv.* to fileio/
commit
|
commitdiff
|
tree
2015-09-16
Mark Abraham
Remove GMX_NOCHARGEGROUPS
commit
|
commitdiff
|
tree
2015-09-16
Szilard Pall
Fix OpenCL build
commit
|
commitdiff
|
tree
2015-09-15
Mark Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2015-09-10
David van der Spoel
Moved content from mdrun.h to separate headers.
commit
|
commitdiff
|
tree
2015-09-08
Teemu Murtola
Reduce coupling between refdata and libxml2
commit
|
commitdiff
|
tree
2015-09-03
Mark Abraham
Never operate on force array in .tpr
commit
|
commitdiff
|
tree
2015-09-01
Teemu Murtola
Build scripts for new releng
commit
|
commitdiff
|
tree
2015-08-29
Teemu Murtola
Remove separate title parameter for read_tps_conf()
commit
|
commitdiff
|
tree
2015-08-19
Mark Abraham
Harden FindSphinx.cmake
commit
|
commitdiff
|
tree
2015-08-17
Mark Abraham
Remove infrastructure for gmx protonate
commit
|
commitdiff
|
tree
2015-08-14
Mark Abraham
Merge branch release-5-1 into master
commit
|
commitdiff
|
tree
2015-08-14
Mark Abraham
Bump patch version to prepare for 5.1.1
commit
|
commitdiff
|
tree
2015-08-14
Mark Abraham
Version 5.1
commit
|
commitdiff
|
tree
2015-08-14
Berk Hess
Make mdrun -nt work again
commit
|
commitdiff
|
tree
2015-08-13
Mark Abraham
Make it easier to find selection help
commit
|
commitdiff
|
tree
2015-08-12
Mark Abraham
Add documentation for energygrps with GPUs
commit
|
commitdiff
|
tree
2015-08-11
Mark Abraham
Abort if PME tuning is active and counters reset
commit
|
commitdiff
|
tree
2015-08-08
Mark Abraham
Merge branch release-5-0 into release-5-1
commit
|
commitdiff
|
tree
2015-08-08
Mark Abraham
Fix docs of ftypes of dihedrals
commit
|
commitdiff
|
tree
2015-08-04
Mark Abraham
Merge release-5-0 into release-5-1
commit
|
commitdiff
|
tree
2015-08-03
Mark Abraham
Fix possible linking of libxml2 to zlib
commit
|
commitdiff
|
tree
2015-07-26
Mark Abraham
Merge branch release-5-0 into release-5-1
commit
|
commitdiff
|
tree
next