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Merge branch release-2018 into release-2019
2018-12-17
Paul Bauer
Merge branch release-2018 into release-2019
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2018-12-14
Paul Bauer
GROMACS 2019 Release candidate
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2018-12-11
Paul Bauer
Properly check for MSVC in build script
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2018-12-10
Paul Bauer
Disable gmxapi by default
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2018-12-10
Paul Bauer
Make release notes html only
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2018-12-10
Paul Bauer
Change toctree depth in PDF manual
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2018-12-03
Paul Bauer
Fix energy history reading
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2018-11-30
Paul Bauer
Recreate flowchart figure
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2018-11-29
Paul Bauer
More fixes for ImageMagick test script
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2018-11-29
Paul Bauer
Fix energy history reading
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2018-11-29
Paul Bauer
Make Imagemagick availability more visible
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2018-11-29
Paul Bauer
Fix reference manual image sizes
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2018-11-29
Paul Bauer
Fix reference manual doc build
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2018-11-28
Paul Bauer
Fix gcc-8 warnings
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2018-11-26
Paul Bauer
Fix newline printing in -v output
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2018-11-22
Paul Bauer
Prepare for 2019 release candidate
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2018-11-22
Paul Bauer
GROMACS 2019 third beta release
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2018-11-21
Paul Bauer
Merge branch release-2018 into release-2019
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2018-11-15
Paul Bauer
Refine FindSphinx
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2018-11-15
Paul Bauer
Rework GMXAPI tests
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2018-11-12
Paul Bauer
Update to prepare for 2018.5 point release
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2018-11-12
Paul Bauer
Version 2018.4
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2018-11-08
Paul Bauer
Give error when rerun with identical file names
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2018-11-08
Paul Bauer
Issue fatal error if checkpoint does not suit the .tpr
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2018-11-08
Paul Bauer
Actually fix gmx helix segmentation fault
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2018-11-07
Paul Bauer
Mark new cmake variables advanced
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2018-11-07
Paul Bauer
Add global directory for simulation test inputs
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2018-11-06
Paul Bauer
Fix wrong branch for regressiontests
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2018-11-06
Paul Bauer
Prepare for beta3
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2018-11-06
Paul Bauer
GROMACS 2019 second beta release
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2018-11-05
Paul Bauer
Fix non ascii characters in manual references
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2018-11-05
Paul Bauer
Make QM/MM code always compile
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2018-11-05
Paul Bauer
Give more info when trying to build manual
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2018-11-05
Paul Bauer
Fix formatting issue
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2018-11-01
Paul Bauer
Properly define Bromine in amber forcefields
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2018-10-31
Paul Bauer
Add equation numbers in reference manual
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2018-10-30
Paul Bauer
Change Table of contents depth
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2018-10-26
Paul Bauer
Fix link formatting in developer manual
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2018-10-26
Paul Bauer
Update user documentation overview
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2018-10-25
Paul Bauer
Change doc build without image conversion
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2018-10-24
Paul Bauer
Update QM gaussian interface
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2018-10-24
Paul Bauer
Fix MPI w/o MPI_IN_PLACE
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2018-10-22
Paul Bauer
Prepare for beta 2
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2018-10-22
Paul Bauer
GROMACS 2019 first beta release
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2018-10-18
Paul Bauer
Remove unused files in docs/manual
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2018-10-18
Paul Bauer
Fix segmentation fault in gmx helix
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2018-10-11
Paul Bauer
Add short security notice
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2018-10-10
Paul Bauer
Include doi strings from zenodo during release
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2018-10-10
Paul Bauer
Wrong name for report-methods tool
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2018-10-08
Paul Bauer
Workaround for ICC postsubmit bug
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2018-10-03
Paul Bauer
Change acceptable precision in minimizer test
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2018-10-03
Paul Bauer
Disable GMXAPI when only building mdrun
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2018-10-02
Paul Bauer
Fix include formatting in gmxapi
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2018-10-01
Paul Bauer
Change get_atom_index to return int
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2018-09-27
Paul Bauer
Add mindist output file check
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2018-09-20
Paul Bauer
Separate methods to create localtop and t_topology
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2018-09-20
Paul Bauer
Always use mtop constructor
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2018-09-17
Paul Bauer
Properly initialize idef in topologies
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2018-09-14
Paul Bauer
Remove LaTeX file writing from gmx check
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2018-09-14
Paul Bauer
Introduce gmx report-methods
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2018-09-09
Paul Bauer
Remove macro for group type in topology
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2018-09-05
Paul Bauer
Changes to documentation build script
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2018-09-05
Paul Bauer
Improve stability of parallel documentation build
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2018-09-03
Paul Bauer
Fix error in documentation build
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2018-09-03
Paul Bauer
Allow documentation to build in parallel
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2018-08-30
Paul Bauer
More fixes from clang-tidy-7
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2018-08-28
Paul Bauer
Fix documentation build without imagemagick
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2018-08-27
Paul Bauer
Transfer information from old how-to section
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2018-08-23
Paul Bauer
Update to prepare for 2018.4 point release
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2018-08-23
Paul Bauer
Version 2018.3
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2018-08-22
Paul Bauer
Fix trjconv when running without a structure file
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2018-08-14
Paul Bauer
Updated links in user guide
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2018-08-07
Paul Bauer
Remove duplicate entry for Doxygen from dev manual
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2018-08-01
Paul Bauer
Fix -skip option for gmx rms
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2018-07-30
Paul Bauer
Fix bfactor output
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2018-07-24
Paul Bauer
Change manual section on restarts w/o checkpoint
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2018-06-08
Paul Bauer
Fix gmx solvate with multiple solvent molecule types
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2018-06-07
Paul Bauer
Change use of t_inpfile to std::vector
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2018-06-07
Paul Bauer
Remove macros in input file reading
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2018-06-06
Paul Bauer
Fix PQR file output
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2018-05-30
Paul Bauer
Disallow use of empty box information in solvent files
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2018-05-04
Paul Bauer
Fix md -cpi -noappend
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2018-04-27
Paul Bauer
Fix file reading in gmx sans
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2018-04-26
Paul Bauer
Reorganize files for reference manual
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2018-04-26
Paul Bauer
Split up analysis chapter in reference manual
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2018-04-26
Paul Bauer
Split up special topics section in manual
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2018-04-26
Paul Bauer
Split up topology section in manual
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2018-04-26
Paul Bauer
Split up algorithms manual page
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2018-04-25
Paul Bauer
Add page breaks in reference manual
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2018-04-25
Paul Bauer
Split up Interaction functions manual page
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2018-04-25
Paul Bauer
Change image conversion to only be build once
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2018-04-21
Paul Bauer
Convert manual from LaTeX to Markup
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2018-04-21
Paul Bauer
Second change tracking commit
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2018-04-21
Paul Bauer
Intermediate commit to track changes to manual
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2018-04-18
Paul Bauer
Remove obsolete variable prec gro file output
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2018-04-17
Paul Bauer
Fix legacy topology memory error
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2018-03-29
Paul Bauer
Fix cmake Sphinx detection for versions >1.6.4
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2018-03-16
Paul Bauer
Only free topology when allocated
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2018-02-26
Paul Bauer
Change TNG file opening
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2018-02-01
Paul Bauer
Add information for n2t file format
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