biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Merge branch release-5-1 into release-2016
2016-06-17
Mark Abraham
Merge branch release-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-06-17
Mark Abraham
Fix multi-sim + DD + simple distance restraints
commit
|
commitdiff
|
tree
2016-06-13
Berk Hess
Handle constraint errors with EM
commit
|
commitdiff
|
tree
2016-06-10
Mark Abraham
Find python for docs build quietly
commit
|
commitdiff
|
tree
2016-06-08
Erik Lindahl
Disable static libcudart on OS X
commit
|
commitdiff
|
tree
2016-06-07
Mark Abraham
Re-add support for linking against external TinyXML-2
commit
|
commitdiff
|
tree
2016-06-07
Mark Abraham
Updates to documentation
commit
|
commitdiff
|
tree
2016-06-07
Berk Hess
Fix data race in hwinfo with thread-MPI
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
Fix compatibility with older CMake
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
Make more CMake variables advanced
commit
|
commitdiff
|
tree
2016-06-02
Mark Abraham
Ignore stderr when detecting SIMD and build info
commit
|
commitdiff
|
tree
2016-05-31
Mark Abraham
Fix reference to vmdio.c to be vmdio.cpp
commit
|
commitdiff
|
tree
2016-05-31
Mark Abraham
Second 2016 beta release
commit
|
commitdiff
|
tree
2016-05-31
Berk Hess
Reposition nbnxn filler particles
commit
|
commitdiff
|
tree
2016-05-31
Berk Hess
Avoid numerical overflow with overlapping atoms
commit
|
commitdiff
|
tree
2016-05-31
Berk Hess
Add check for finite energies
commit
|
commitdiff
|
tree
2016-05-28
Roland Schulz
Fix build with clang 3.1+3.2
commit
|
commitdiff
|
tree
2016-05-27
Mark Abraham
Fix reading of bonded tables
commit
|
commitdiff
|
tree
2016-05-26
Mark Abraham
New quote
commit
|
commitdiff
|
tree
2016-05-21
Erik Lindahl
Disable automated FFTW3 builds on Windows
commit
|
commitdiff
|
tree
2016-05-17
Roland Schulz
Add reference to TopoTools 1.6
commit
|
commitdiff
|
tree
2016-05-17
Teemu Murtola
Fix some thread affinity cases
commit
|
commitdiff
|
tree
2016-05-13
Roland Schulz
Don't use abort for fatal errors
commit
|
commitdiff
|
tree
2016-05-12
Mark Abraham
Merge branch release-5-1 into release-2016
commit
|
commitdiff
|
tree
2016-05-12
Mark Abraham
GROMACS 2016 beta1 release
commit
|
commitdiff
|
tree
2016-05-12
Vedran Miletić
Remove static function qualifier in OpenCL kernel utils
commit
|
commitdiff
|
tree
2016-05-10
Teemu Murtola
Additional Jenkins documentation
commit
|
commitdiff
|
tree
2016-05-10
Mark Abraham
Bump clang static analyzer to version 3.8
commit
|
commitdiff
|
tree
2016-05-10
Mark Abraham
Minor update to sphinx dependency
commit
|
commitdiff
|
tree
2016-05-10
Teemu Murtola
Include releng documentation to developer guide
commit
|
commitdiff
|
tree
2016-05-10
Erik Lindahl
Fix precision loss in tabulated normal distribution
commit
|
commitdiff
|
tree
2016-05-10
Mark Abraham
Facilitate linking with libcxx
commit
|
commitdiff
|
tree
2016-05-10
Erik Lindahl
Flush streams when not writing newline character
commit
|
commitdiff
|
tree
2016-05-10
Berk Hess
Optimized the vsite threading
commit
|
commitdiff
|
tree
2016-05-10
Roland Schulz
Add OpenMP for functions limiting scaling
commit
|
commitdiff
|
tree
2016-05-08
Mark Abraham
Fixes for clang 3.7 on PowerPC
commit
|
commitdiff
|
tree
2016-05-08
James W. Barnett
Correct and clarify output units for fluct_props
commit
|
commitdiff
|
tree
2016-05-08
Erik Lindahl
Fix Luzar/Chander literature reference in g_hbond
commit
|
commitdiff
|
tree
2016-05-08
David van der Spoel
Modify lmfit library to avoid clashes with other versions.
commit
|
commitdiff
|
tree
2016-04-28
Teemu Murtola
Use HardwareTopology to set nthreads_hw_avail
commit
|
commitdiff
|
tree
2016-04-28
Teemu Murtola
Remove gmx_hw_info_t::ncore
commit
|
commitdiff
|
tree
2016-04-28
Szilárd Páll
Workaround for gcc false positive warning
commit
|
commitdiff
|
tree
2016-04-27
Teemu Murtola
Improve release workflow testing
commit
|
commitdiff
|
tree
2016-04-27
Teemu Murtola
Disable multiple ranks for non-MPI unit tests
commit
|
commitdiff
|
tree
2016-04-27
Mark Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-04-27
Szilárd Páll
Fix multiple MPI ranks per node with OpenCL
commit
|
commitdiff
|
tree
2016-04-27
Teemu Murtola
Fix issues with failing thread affinity setting
commit
|
commitdiff
|
tree
2016-04-19
Roland Schulz
Fix numerically unstable selection test
commit
|
commitdiff
|
tree
2016-04-19
Szilárd Páll
Move out CUDA profiler triggers from NBNXN
commit
|
commitdiff
|
tree
2016-04-19
Berk Hess
Allow rcoulomb>rvdw with PME
commit
|
commitdiff
|
tree
2016-04-19
Mark Abraham
Replace libxml2 with tinyxml2 for use in test code
commit
|
commitdiff
|
tree
2016-04-19
Roland Schulz
Tune nstlist increase for KNL
commit
|
commitdiff
|
tree
2016-04-19
Mark Abraham
Fix parse_digits_from_string
commit
|
commitdiff
|
tree
2016-04-19
Berk Hess
Broadcast pull external potential provider string
commit
|
commitdiff
|
tree
2016-04-19
Mark Abraham
Fix mdp label generation
commit
|
commitdiff
|
tree
2016-04-19
Berk Hess
Fix gmx hbond group overlap check
commit
|
commitdiff
|
tree
2016-04-14
Mark Abraham
Merge branch release-5-1
commit
|
commitdiff
|
tree
2016-04-14
Carsten Kutzner
Corrected value of electric conversion factor f in...
commit
|
commitdiff
|
tree
2016-04-06
Roland Schulz
AVX512 transposeScatterIncr/DecrU with load/store
commit
|
commitdiff
|
tree
2016-04-04
Erik Lindahl
Fix compile error for IBM VMX on ppc64
commit
|
commitdiff
|
tree
2016-04-04
Erik Lindahl
Fix SIMD detection on new AMD AVX CPUs w/o fma
commit
|
commitdiff
|
tree
2016-04-03
Erik Lindahl
Fix unit test segfaults with gcc-6.0
commit
|
commitdiff
|
tree
2016-04-03
Erik Lindahl
Fix incorrect return type for scalar version of simd...
commit
|
commitdiff
|
tree
2016-04-03
Semen Yesylevskyy
Added references to ProtSqueeze and g_membed to the...
commit
|
commitdiff
|
tree
2016-04-02
Roland Schulz
Fix coolquotes
commit
|
commitdiff
|
tree
2016-04-01
Mark Abraham
Revert to treating -1 as "generate a seed" in .mdp
commit
|
commitdiff
|
tree
2016-03-31
Berk Hess
Add option for external pull potential
commit
|
commitdiff
|
tree
2016-03-31
James W. Barnett
Revert behavior for handling SETTLE errors
commit
|
commitdiff
|
tree
2016-03-31
Szilárd Páll
refactor CUDA texture-based table initialization
commit
|
commitdiff
|
tree
2016-03-31
Szilard Pall
avoid CPU oversubscription with GPUs
commit
|
commitdiff
|
tree
2016-03-30
Szilárd Páll
LJ combination rule kernels for OpenCL
commit
|
commitdiff
|
tree
2016-03-30
Szilárd Páll
Re-enable i-atom type local mem prefetch in OpenCL
commit
|
commitdiff
|
tree
2016-03-30
Berk Hess
Correct mdrun tMPI (non-)parallel error message
commit
|
commitdiff
|
tree
2016-03-30
Teemu Murtola
Make includesorter.py work with Doxygen 1.8.10+
commit
|
commitdiff
|
tree
2016-03-30
Szilárd Páll
Describe AMD APPSDK 3.0 issues in the guide
commit
|
commitdiff
|
tree
2016-03-30
Teemu Murtola
Fix error reporting for documentation build
commit
|
commitdiff
|
tree
2016-03-30
Mark Abraham
Clean up vsite code
commit
|
commitdiff
|
tree
2016-03-22
Carsten Kutzner
Clean-up code for swapcoords.
commit
|
commitdiff
|
tree
2016-03-22
Berk Hess
LJ combination rule kernels for CUDA
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraham
Add more const correctness
commit
|
commitdiff
|
tree
2016-03-19
Mark Abraham
Improved some mdrun integration tests
commit
|
commitdiff
|
tree
2016-03-18
Mark Abraham
Warn about OpenMPI 1.8.6
commit
|
commitdiff
|
tree
2016-03-18
Berk Hess
Fix non-normalization of FFT autocorr
commit
|
commitdiff
|
tree
2016-03-18
Mark Abraham
Fix typo in Fourier dihedral equation
commit
|
commitdiff
|
tree
2016-03-18
Viveca Lindahl
Added pull coordinate geometry angle.
commit
|
commitdiff
|
tree
2016-03-18
David van der Spoel
Fixed division by zero in polarize.
commit
|
commitdiff
|
tree
2016-03-18
Nicholas Breen
Various minor spelling fixes - messages and code comments...
commit
|
commitdiff
|
tree
2016-03-17
Carsten Kutzner
Fix membed initialization
commit
|
commitdiff
|
tree
2016-03-15
Mark Abraham
Merge branch release-5-0 into release-5-1
commit
|
commitdiff
|
tree
2016-03-11
Mark Abraham
Merge branch release-5-0 into release-5-1
commit
|
commitdiff
|
tree
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
next