biod.pnpi.spb.ru
/
alexxy
/
gromacs.git
/ search
commit
grep
author
committer
pickaxe
?
search:
re
summary
|
shortlog
|
log
|
commit
|
commitdiff
|
tree
first ⋅ prev ⋅ next
Properly initialize idef in topologies
2018-09-17
Paul Bauer
Properly initialize idef in topologies
commit
|
commitdiff
|
tree
2018-09-14
Paul Bauer
Remove LaTeX file writing from gmx check
commit
|
commitdiff
|
tree
2018-09-14
Paul Bauer
Introduce gmx report-methods
commit
|
commitdiff
|
tree
2018-09-09
Paul Bauer
Remove macro for group type in topology
commit
|
commitdiff
|
tree
2018-09-05
Paul Bauer
Changes to documentation build script
commit
|
commitdiff
|
tree
2018-09-05
Paul Bauer
Improve stability of parallel documentation build
commit
|
commitdiff
|
tree
2018-09-03
Paul Bauer
Fix error in documentation build
commit
|
commitdiff
|
tree
2018-09-03
Paul Bauer
Allow documentation to build in parallel
commit
|
commitdiff
|
tree
2018-08-30
Paul Bauer
More fixes from clang-tidy-7
commit
|
commitdiff
|
tree
2018-08-28
Paul Bauer
Fix documentation build without imagemagick
commit
|
commitdiff
|
tree
2018-08-27
Paul Bauer
Transfer information from old how-to section
commit
|
commitdiff
|
tree
2018-08-23
Paul Bauer
Update to prepare for 2018.4 point release
commit
|
commitdiff
|
tree
2018-08-23
Paul Bauer
Version 2018.3
commit
|
commitdiff
|
tree
2018-08-22
Paul Bauer
Fix trjconv when running without a structure file
commit
|
commitdiff
|
tree
2018-08-14
Paul Bauer
Updated links in user guide
commit
|
commitdiff
|
tree
2018-08-07
Paul Bauer
Remove duplicate entry for Doxygen from dev manual
commit
|
commitdiff
|
tree
2018-08-01
Paul Bauer
Fix -skip option for gmx rms
commit
|
commitdiff
|
tree
2018-07-30
Paul Bauer
Fix bfactor output
commit
|
commitdiff
|
tree
2018-07-24
Paul Bauer
Change manual section on restarts w/o checkpoint
commit
|
commitdiff
|
tree
2018-06-08
Paul Bauer
Fix gmx solvate with multiple solvent molecule types
commit
|
commitdiff
|
tree
2018-06-07
Paul Bauer
Change use of t_inpfile to std::vector
commit
|
commitdiff
|
tree
2018-06-07
Paul Bauer
Remove macros in input file reading
commit
|
commitdiff
|
tree
2018-06-06
Paul Bauer
Fix PQR file output
commit
|
commitdiff
|
tree
2018-05-30
Paul Bauer
Disallow use of empty box information in solvent files
commit
|
commitdiff
|
tree
2018-05-04
Paul Bauer
Fix md -cpi -noappend
commit
|
commitdiff
|
tree
2018-04-27
Paul Bauer
Fix file reading in gmx sans
commit
|
commitdiff
|
tree
2018-04-26
Paul Bauer
Reorganize files for reference manual
commit
|
commitdiff
|
tree
2018-04-26
Paul Bauer
Split up analysis chapter in reference manual
commit
|
commitdiff
|
tree
2018-04-26
Paul Bauer
Split up special topics section in manual
commit
|
commitdiff
|
tree
2018-04-26
Paul Bauer
Split up topology section in manual
commit
|
commitdiff
|
tree
2018-04-26
Paul Bauer
Split up algorithms manual page
commit
|
commitdiff
|
tree
2018-04-25
Paul Bauer
Add page breaks in reference manual
commit
|
commitdiff
|
tree
2018-04-25
Paul Bauer
Split up Interaction functions manual page
commit
|
commitdiff
|
tree
2018-04-25
Paul Bauer
Change image conversion to only be build once
commit
|
commitdiff
|
tree
2018-04-21
Paul Bauer
Convert manual from LaTeX to Markup
commit
|
commitdiff
|
tree
2018-04-21
Paul Bauer
Second change tracking commit
commit
|
commitdiff
|
tree
2018-04-21
Paul Bauer
Intermediate commit to track changes to manual
commit
|
commitdiff
|
tree
2018-04-18
Paul Bauer
Remove obsolete variable prec gro file output
commit
|
commitdiff
|
tree
2018-04-17
Paul Bauer
Fix legacy topology memory error
commit
|
commitdiff
|
tree
2018-03-29
Paul Bauer
Fix cmake Sphinx detection for versions >1.6.4
commit
|
commitdiff
|
tree
2018-03-16
Paul Bauer
Only free topology when allocated
commit
|
commitdiff
|
tree
2018-02-26
Paul Bauer
Change TNG file opening
commit
|
commitdiff
|
tree
2018-02-01
Paul Bauer
Add information for n2t file format
commit
|
commitdiff
|
tree
2018-01-18
Paul Bauer
Add contribution information to webpage
commit
|
commitdiff
|
tree
2018-01-04
Paul Bauer
Fix gmx msd when using COM removal and molecules
commit
|
commitdiff
|
tree
2018-01-03
Paul Bauer
Correct dihedral restraint section in Manual
commit
|
commitdiff
|
tree
2017-12-19
Paul Bauer
Removed -skip option from gmx energy
commit
|
commitdiff
|
tree
2017-12-14
Paul Bauer
Remove PBC before generating TPR with group scheme
commit
|
commitdiff
|
tree
2017-12-11
Paul Bauer
Fewer messages when -cpi file is not present
commit
|
commitdiff
|
tree
2017-12-11
Paul Bauer
Disallow combination of PME-user and verlet cutoff
commit
|
commitdiff
|
tree
2017-12-08
Paul Bauer
Add information regarding xlc compiler
commit
|
commitdiff
|
tree
2017-11-27
Paul Bauer
Add GPU task information to user-guide
commit
|
commitdiff
|
tree
2017-11-21
Paul Bauer
First general additions to the documentation
commit
|
commitdiff
|
tree
2017-11-01
Paul Bauer
Small change to LaTeX manual generation
commit
|
commitdiff
|
tree
2017-11-01
Paul Bauer
Fixing missing references in web documentation
commit
|
commitdiff
|
tree
2017-10-11
Paul Bauer
Change to modules for build of web documentation
commit
|
commitdiff
|
tree