biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ history
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅
next
Require cmake 3.9.6
[alexxy/gromacs.git]
/
docs
/
2019-01-13
Kevin Boyd
Add grompp check for usage of "define" field in mdp
tree
|
commitdiff
2019-01-07
Paul Bauer
Reuse Sphinx environment again
tree
|
commitdiff
2019-01-07
Mark Abraham
Finish removing group-scheme all-vs-all support
tree
|
commitdiff
2019-01-02
Mark Abraham
Merge branch release-2019
tree
|
commitdiff
2018-12-31
Paul Bauer
Prepare for 2019.1
tree
|
commitdiff
2018-12-31
Paul Bauer
GROMACS 2019 release
tree
|
commitdiff
2018-12-31
Szilárd Páll
Fix release notes typo
tree
|
commitdiff
2018-12-31
Szilárd Páll
Add CUDA CC 7.5 (Turing) support with nvcc
tree
|
commitdiff
2018-12-31
Paul Bauer
Merge branch release-2018 into release-2019
tree
|
commitdiff
2018-12-27
Paul Bauer
Document OpenCL timer issue.
tree
|
commitdiff
2018-12-20
Szilárd Páll
Merge "Merge branch release-2018 into release-2019...
tree
|
commitdiff
2018-12-19
Jiannan Liu
Missing factor of 2 in cos-acceleration
tree
|
commitdiff
2018-12-19
Paul Bauer
Merge "Merge release-2019 branch into master"
tree
|
commitdiff
2018-12-18
Szilárd Páll
Merge release-2019 branch into master
tree
|
commitdiff
2018-12-17
Paul Bauer
Copy parallelisation info from old webpage
tree
|
commitdiff
2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
tree
|
commitdiff
2018-12-14
Berk Hess
Fix LINCS triangle constraining with OpenMP
tree
|
commitdiff
2018-12-13
Szilárd Páll
Document the FP exception in cuFFT 7.0
tree
|
commitdiff
2018-12-11
Berk Hess
Document mdrun mdp option modification
tree
|
commitdiff
2018-12-10
Paul Bauer
Make release notes html only
tree
|
commitdiff
2018-12-10
Paul Bauer
Change toctree depth in PDF manual
tree
|
commitdiff
2018-12-09
Mark Abraham
Fix POWER8 and POWER9 build
tree
|
commitdiff
2018-12-06
boristim
Updates to do_dssp
tree
|
commitdiff
2018-12-05
Berk Hess
Add update groups to parallelization docs
tree
|
commitdiff
2018-12-05
Berk Hess
Make large PME grids work on GPU
tree
|
commitdiff
2018-12-04
David van der Spoel
Removed gmx morph
tree
|
commitdiff
2018-12-04
David van der Spoel
Removed gmx dyndom
tree
|
commitdiff
2018-12-04
David van der Spoel
Removed gmx anadock
tree
|
commitdiff
2018-11-30
Paul Bauer
Recreate flowchart figure
tree
|
commitdiff
2018-11-29
Viacheslav Bolnykh
Added reference-manual entry for MiMiC
tree
|
commitdiff
2018-11-29
Paul Bauer
Make Imagemagick availability more visible
tree
|
commitdiff
2018-11-29
Mark Abraham
Removed erronous manual variable handling
tree
|
commitdiff
2018-11-29
Paul Bauer
Fix reference manual image sizes
tree
|
commitdiff
2018-11-29
Paul Bauer
Fix reference manual doc build
tree
|
commitdiff
2018-11-27
Szilárd Páll
Add tweaks to support ARMPL for FFTs
tree
|
commitdiff
2018-11-22
Mark Abraham
Merge "Merge branch 'release-2019'"
tree
|
commitdiff
2018-11-21
David van der Spoel
Merge branch 'release-2019'
tree
|
commitdiff
2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
tree
|
commitdiff
2018-11-20
Mark Abraham
Merge "Merge release-2019 into master"
tree
|
commitdiff
2018-11-19
Mark Abraham
Fix inefficient shell minimization
tree
|
commitdiff
2018-11-16
Roland Schulz
Merge release-2019 into master
tree
|
commitdiff
2018-11-16
Berk Hess
grompp now checks tau-p>=2*tau-t with NH+PR
tree
|
commitdiff
2018-11-15
M. Eric Irrgang
Note GMX_ENABLE_CCACHE in build system docs.
tree
|
commitdiff
2018-11-14
M. Eric Irrgang
Note GMXAPI CMake variables and build targets.
tree
|
commitdiff
2018-11-12
Paul Bauer
Update to prepare for 2018.5 point release
tree
|
commitdiff
2018-11-12
Paul Bauer
Version 2018.4
tree
|
commitdiff
2018-11-11
David van der Spoel
Fix entropy calculation in gmx anaeig
tree
|
commitdiff
2018-11-09
David van der Spoel
Change get_atom_index to allow multiple molecules.
tree
|
commitdiff
2018-11-08
Paul Bauer
Give error when rerun with identical file names
tree
|
commitdiff
2018-11-08
Paul Bauer
Issue fatal error if checkpoint does not suit the .tpr
tree
|
commitdiff
2018-11-08
Paul Bauer
Actually fix gmx helix segmentation fault
tree
|
commitdiff
2018-11-05
Mark Abraham
Make PME OpenCL enabled only for AMD devices
tree
|
commitdiff
2018-11-05
Paul Bauer
Fix non ascii characters in manual references
tree
|
commitdiff
2018-11-05
Paul Bauer
Make QM/MM code always compile
tree
|
commitdiff
2018-11-05
Paul Bauer
Give more info when trying to build manual
tree
|
commitdiff
2018-11-01
Mark Abraham
Disable ccache by default
tree
|
commitdiff
2018-11-01
Paul Bauer
Properly define Bromine in amber forcefields
tree
|
commitdiff
2018-10-31
Jonathan Vincent
Add CUDA bonded kernels
tree
|
commitdiff
2018-10-31
Berk Hess
Work around expanded ensemble issues
tree
|
commitdiff
2018-10-31
Berk Hess
Correct VV integrator nstcalcenergy use
tree
|
commitdiff
2018-10-31
Berk Hess
Correct grompp nstexpanded/nstcalcenergy check
tree
|
commitdiff
2018-10-31
Paul Bauer
Add equation numbers in reference manual
tree
|
commitdiff
2018-10-30
Paul Bauer
Change Table of contents depth
tree
|
commitdiff
2018-10-30
Mark Abraham
Rename to GMX_OPENCL_NB_CLUSTER_SIZE
tree
|
commitdiff
2018-10-30
Mark Abraham
Updates to docs for OpenCL support
tree
|
commitdiff
2018-10-26
Mark Abraham
Merge "Merge branch release-2018 into release-2019...
tree
|
commitdiff
2018-10-26
Mark Abraham
Merge branch release-2018 into release-2019
tree
|
commitdiff
2018-10-26
Paul Bauer
Fix link formatting in developer manual
tree
|
commitdiff
2018-10-26
Berk Hess
Add missing mass term to deltaH
tree
|
commitdiff
2018-10-26
Paul Bauer
Update user documentation overview
tree
|
commitdiff
2018-10-25
Paul Bauer
Change doc build without image conversion
tree
|
commitdiff
2018-10-23
Berk Hess
Add missing constraint term to deltaH
tree
|
commitdiff
2018-10-23
Joe Jordan
Properly attribute work and use correct dates for binar...
tree
|
commitdiff
2018-10-22
Paul Bauer
Prepare master for 2020
tree
|
commitdiff
2018-10-22
Paul Bauer
GROMACS 2019 first beta release
tree
|
commitdiff
2018-10-18
Paul Bauer
Remove unused files in docs/manual
tree
|
commitdiff
2018-10-18
Paul Bauer
Fix segmentation fault in gmx helix
tree
|
commitdiff
2018-10-18
Berk Hess
Add env.var. to disable update groups
tree
|
commitdiff
2018-10-16
Mark Abraham
Eliminated t_ifunc from t_interaction_function
tree
|
commitdiff
2018-10-16
Mark Abraham
Removed support for NVIDIA CC 2.x devices (codename...
tree
|
commitdiff
2018-10-15
M. Eric Irrgang
Release notes for restraint module and gmxapi.
tree
|
commitdiff
2018-10-15
Mark Abraham
Create ExclusionBlocks
tree
|
commitdiff
2018-10-15
Magnus Lundborg
Enable output of average pull force and positions.
tree
|
commitdiff
2018-10-13
Aleksei Iupinov
Add and enable PME OpenCL
tree
|
commitdiff
2018-10-13
Mark Abraham
Deprecate various functionality in GROMACS 2019
tree
|
commitdiff
2018-10-12
Viacheslav Bolnykh
Implemented QM/MM workflow inside core GROMACS
tree
|
commitdiff
2018-10-11
Paul Bauer
Add short security notice
tree
|
commitdiff
2018-10-10
Paul Bauer
Include doi strings from zenodo during release
tree
|
commitdiff
2018-10-08
Berk Hess
Enable update groups
tree
|
commitdiff
2018-10-05
Roland Schulz
Fix multiple bugs detected on Windows
tree
|
commitdiff
2018-10-04
Berk Hess
Add note to avoid constraints=all-bonds
tree
|
commitdiff
2018-10-03
Magnus Lundborg
Allow using COM of previous step as PBC reference
tree
|
commitdiff
2018-10-01
Mark Abraham
Add release notes for removing non-reproducible aspects
tree
|
commitdiff
2018-09-29
Mark Abraham
Remove NVML support
tree
|
commitdiff
2018-09-27
Roland Schulz
Recognize Intel GPU as compatible
tree
|
commitdiff
2018-09-27
Paul Bauer
Add mindist output file check
tree
|
commitdiff
2018-09-25
Pascal Merz
Remove unnecessary functionality from do_rerun
tree
|
commitdiff
2018-09-24
Mark Abraham
Fix Doxygen links
tree
|
commitdiff
2018-09-21
Roland Schulz
Fix clang-tidy warnings for clang 7
tree
|
commitdiff
2018-09-18
Pascal Merz
Documentation fix: Rerun and nstlist
tree
|
commitdiff
next