Commit Graph

4867 Commits

Author SHA1 Message Date
cc1c93a3d9 correct broken formatting and add explicit links to ParmEd and InterMol, a few tweaks 2018-12-28 00:29:40 -05:00
685ed827d7 small formatting changes 2018-12-19 06:46:19 -05:00
5fb8f23cb4 update false positives list for recent manual changes 2018-12-19 02:24:16 -05:00
ba3ee71edf update the github workflow checklist with a missing requirement 2018-12-19 02:09:31 -05:00
caba050f29 update list of items to check for contributing code to current status 2018-12-19 02:03:27 -05:00
90e125a73a make error message for input parameter type mismatch more specific to show what is incorrect 2018-12-17 14:03:26 -05:00
f7a2cd689b document default setting for flip flag 2018-12-15 19:14:59 -05:00
deb21ad4e2 support variables for more region properties
add code to allow the center of a spherical or cylindrical
region to be determined as variables and thus change over time.
2018-12-13 14:06:12 -05:00
f2f7bcfa5a add new false positive 2018-12-11 23:45:27 -05:00
35cfedab39 document PDF manual generation 2018-12-11 21:13:03 -05:00
3ad4c0db35 expose "make spelling" in the doc folder to the documentation 2018-12-11 21:02:52 -05:00
e6321e1020 Merge pull request #1246 from akohlmey/next-patch-release
Patch release 7 December 2018
2018-12-07 14:15:12 -05:00
0165f18d59 Merge pull request #1241 from akohlmey/collected-small-fixes
Collected small changes and updates for stable release
2018-12-07 11:28:26 -05:00
c36f8390d2 Merge pull request #1240 from akohlmey/fix-tune-kspace-limits
Detect fix tune/kspace incompatible configurations
2018-12-07 11:28:02 -05:00
57204a0f66 reformat recently changed paragraphs in the manual 2018-12-07 10:38:01 -05:00
4f00984bbc Merge branch 'master' into collected-small-fixes 2018-12-07 10:32:33 -05:00
29dcf8348b No longer require LAPACK and BLAS to compile PLUMED+LAMMPS so removed this statement from docs 2018-12-07 15:16:40 +00:00
1bd81db9b3 Fixed spelling mistakes 2018-12-07 15:15:35 +00:00
4a4dbc7da5 Added further instructions on building of PLUMED+LAMMPS 2018-12-07 12:49:00 +00:00
ee98dc0b96 step version number to 7 December 2018 2018-12-07 06:11:30 -05:00
d802817cca Small changes to the documentation for building and using PLUMED 2018-12-07 10:39:10 +00:00
e37436d646 plug memory leak and avoid accessing uninitialized memory in virial computation and properly handle PPPM/Ewald cases that don't compute a virial 2018-12-06 18:54:25 -05:00
9ee076e4c7 correct formatting of preformatted text 2018-12-04 10:40:31 -05:00
4af7e706d7 correctly compute hash for temporary directory used by manual building 2018-12-03 14:59:43 -05:00
c69fc90588 detect more incompatible setups for fix tune/kspace, and document 2018-12-01 02:48:22 -05:00
e3ddefb38b update docs and header for removed error message 2018-11-29 02:03:56 -05:00
6be4ce7137 found a new false positive word in docs with spellchecker 2018-11-28 23:14:45 -05:00
c0ab126e77 Merge pull request #1223 from akohlmey/next-patch-release
Patch release 27 November 2018
2018-11-27 16:37:10 -05:00
f254b8e3a3 Merge pull request #1226 from akohlmey/cmake-gpu-enhancements
Enhancements for using CMake with the GPU package, improved compatibility with cmake 3.x versions, improved handling of shared library building.
2018-11-27 16:05:47 -05:00
1fdfc89d25 make $HOME/.local the default LAMMPS installation destination 2018-11-26 22:27:21 -05:00
05fb2d7587 more generated files/symlinks to ignore 2018-11-26 18:23:06 -05:00
55359789fb improve docs for building the GPU library with CUDA and CMake/make with fat binaries 2018-11-26 18:13:50 -05:00
4434481c91 remove trailing whitespace in manual source files 2018-11-26 14:48:53 -05:00
c42d07d907 Merge branch 'master' into doc-adjust3 2018-11-26 14:47:29 -05:00
79b3e9e27d some clarifications and corrections on the wildcard command line docs 2018-11-26 14:46:39 -05:00
cce874dfb4 step version number to 27 November 2018 2018-11-26 14:28:57 -05:00
bfaa2e9ee1 more adjustments to style pages 2018-11-26 11:24:48 -07:00
a010780808 merged in current master 2018-11-26 11:00:22 -07:00
5af7f52370 formatting tweak for labels, add checking item for added pair styles 2018-11-24 16:47:18 -05:00
d1255ab572 we are LAMMPS, not LIGGGHTS 2018-11-22 09:22:09 -05:00
5efd8c06b1 correct formatting for examples when discussing the non-incremental nature of special_bonds 2018-11-22 06:25:39 -05:00
900ecc170a document that rcb balancing depends on comm_style tiled which in turn is not compatible with triclinic cells 2018-11-21 16:08:24 -05:00
090fc7bc8a remove unused sphinx-images extension from virtualenv setup 2018-11-20 22:14:24 -05:00
d359beb170 Merge pull request #1215 from jrgissing/bond/react-doc-corrections,mostly-formatting
Bond/react doc corrections,mostly formatting
2018-11-20 10:50:55 -05:00
421f97e444 Merge pull request #1214 from akohlmey/collected-small-changes
Collected small changes and many spelling fixes for next release candidate
2018-11-20 10:34:58 -05:00
981f56840e update workflow tips for checking new LAMMPS contributions 2018-11-20 00:30:45 -05:00
4251c70e93 update list of false positives for spellchecking 2018-11-20 00:08:07 -05:00
0bcb1bd301 more spelling fixes and occational re-edits 2018-11-20 00:06:40 -05:00
c6c00ee7ee more spelling fixes 2018-11-19 20:46:32 -05:00
13ae678f39 more manual spelling fixes 2018-11-19 16:13:57 -05:00