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History Graph
Commit | Author | Details | Committed | ||||
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319b1607525d | Richard Berger | Add exceptions setting to help message of Make.py | Sep 15 2016 | ||||
cddc1dbb11fd | Richard Berger | Added exceptions flag to Make.py | Sep 15 2016 | ||||
62bf307d3cc6 | Richard Berger | Fix bug introduced into Make.py by latest changes | Sep 15 2016 | ||||
2fb666dc6999 | Steve Plimpton | Merge branch 'doc' into integration | Sep 14 2016 | ||||
2f298951cff2 | Steve Plimpton | resolved conflicts | Sep 14 2016 | ||||
717e719b8300 | Steve Plimpton | HTML update | Sep 14 2016 | ||||
10b4411d5b8f | Steve Plimpton | Merge branch 'integration' of github.com:akohlmey/lammps into integration | Sep 14 2016 | ||||
c744b23c4c04 | Steve Plimpton | doc updates | Sep 14 2016 | ||||
a69e059be324 | sjplimp/GitHub | Merge pull request #27 from akohlmey/small-bugfixes | Sep 14 2016 | ||||
dbc548dd8810 | sjplimp/GitHub | Merge pull request #26 from rbberger/is_available_feature | Sep 14 2016 | ||||
25e518a4f40b | Steve Plimpton | added options to compute bond/local | Sep 14 2016 | ||||
fe2fca4e9b3b | Steve Plimpton | clean-up of example files | Sep 13 2016 | ||||
ed52f9ea5e39 | Steve Plimpton | pair vashishta/table | Sep 13 2016 | ||||
944289b018a7 | Steve Plimpton | final version of pair vashishta/table | Sep 13 2016 | ||||
80c5b01bfcd6 | Axel Kohlmeyer | flag 'allocated' must be initialized in constructor | Sep 13 2016 | ||||
51e4a568c9b1 | Axel Kohlmeyer | Merge branch 'small-bugfixes' of github.com:akohlmey/lammps into small-bugfixes | Sep 13 2016 | ||||
a8081d450728 | Steve Plimpton | fix qeq Kokkos bug fix by Stan | Sep 13 2016 | ||||
14bed44743d6 | Axel Kohlmeyer | ignore Makefile.lammps in lib tree | Sep 13 2016 | ||||
18cacb8e1dab | Axel Kohlmeyer | ignore *.mod generated by fortran compilers | Sep 13 2016 | ||||
e53862ca4a23 | Axel Kohlmeyer | update html file updated boundary.txt file | Sep 11 2016 | ||||
a64eb330e3a2 | Axel Kohlmeyer | document how using shrink-wrap boundaries can cause lost atoms in parallel | Sep 11 2016 | ||||
d70e051ecd7f | Axel Kohlmeyer | update docs for lj/sf/dipole/sf | Sep 9 2016 | ||||
37833b537b9b | Axel Kohlmeyer | restore c++ marker in header comment | Sep 9 2016 | ||||
5fcbfa824820 | Axel Kohlmeyer | simplify phonon code some more | Sep 9 2016 | ||||
c437195928a0 | Axel Kohlmeyer | simplify code | Sep 9 2016 | ||||
8b1ef1c686cb | Axel Kohlmeyer | import updated pair lj/sf/dipole/sf files from sam genheden | Sep 9 2016 | ||||
c3e8cb2f30c5 | Axel Kohlmeyer | fix typo in comments | Sep 9 2016 | ||||
365707704cf8 | Axel Kohlmeyer | update error message to be consistent with other styles | Sep 9 2016 | ||||
16323ba391ea | Axel Kohlmeyer | require an atom map for compute voronoi/atom occupation | Sep 9 2016 | ||||
e27869daf684 | Richard Berger | Add updated HTML documentation about new is_available feature category | Sep 9 2016 | ||||
dc0c0ab214d3 | Richard Berger | Add documentation about new is_available feature category | Sep 9 2016 | ||||
4b22443b25d2 | Richard Berger | Add feature category to is_available function | Sep 9 2016 | ||||
956af8cebb2c | Axel Kohlmeyer | update html file | Sep 8 2016 | ||||
5c927ca8398e | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-rw/integration' into vashishta-tabulation | Sep 8 2016 | ||||
4bb42be3cc09 | Axel Kohlmeyer | implement vashishta/table/omp in USER-OMP | Sep 8 2016 | ||||
7de51430504e | Axel Kohlmeyer | update vashishta pair style example | Sep 8 2016 | ||||
71eed1d612ab | Axel Kohlmeyer | update documentation for vashishta pair style | Sep 8 2016 | ||||
dd34feb2bdc6 | Steve Plimpton | Merge branch 'small' into integration | Sep 8 2016 | ||||
2524c5b52654 | Steve Plimpton | Merge branch 'small-bugfixes' of https://github.com/akohlmey/lammps into small | Sep 8 2016 | ||||
fe581e8ced13 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-rw/integration' into vashishta-tabulation | Sep 8 2016 | ||||
b866e0663b9f | sjplimp/GitHub | Merge pull request #24 from rbberger/info_command_styles | Sep 8 2016 | ||||
5d0da95a0b6d | sjplimp/GitHub | Merge pull request #23 from akohlmey/doc-corrections-and-updates | Sep 8 2016 | ||||
07e55ef61e7d | sjplimp/GitHub | Merge pull request #22 from akohlmey/colvars-update | Sep 8 2016 | ||||
236ebf7fabbb | Steve Plimpton | Kokkos lib update | Sep 8 2016 | ||||
a6df1e53b43f | Axel Kohlmeyer | ignore all variants of the vashishta pair styles in src/ | Sep 8 2016 | ||||
9b2d5ff3e72d | Axel Kohlmeyer | remove executable permissions on non-executables and non-scripts | Sep 8 2016 | ||||
c33e1049d8dd | Axel Kohlmeyer | delete duplicate fclose() in fix ttm/mod constructor | Sep 8 2016 | ||||
1f901c9b2daa | Richard Berger | Update generated HTML docs of info command | Sep 8 2016 | ||||
79b8f6320d62 | Richard Berger | Update docs of info command | Sep 8 2016 | ||||
2dcfb51d1807 | Richard Berger | Change info command styles syntax | Sep 8 2016 | ||||
ba2b523bf4b7 | Richard Berger | Use factory for region style creation | Sep 8 2016 | ||||
fd2b88642278 | Richard Berger | Use factory for dump style creation | Sep 8 2016 | ||||
9952d8a210fc | Richard Berger | Use factory for minimize style creation | Sep 8 2016 | ||||
85c132943ed5 | Richard Berger | Use factory for integrate style creation | Sep 8 2016 | ||||
55260ad53e5b | Richard Berger | Add missing delete in destructor | Sep 8 2016 | ||||
a1e5fc0fca8f | Richard Berger | Use factory for AtomVec style creation | Sep 8 2016 | ||||
88e10b401d5e | Richard Berger | Cleanup force.h after refactoring | Sep 8 2016 | ||||
1d03913aa307 | Richard Berger | Use factory for kspace style creation | Sep 8 2016 | ||||
0745a9f33f41 | Richard Berger | Use factory for improper style creation | Sep 8 2016 | ||||
906c50223af6 | Richard Berger | Use factory for dihedral style creation | Sep 8 2016 | ||||
35bdeb63e266 | Richard Berger | Use factory for angle style creation | Sep 8 2016 | ||||
69c58ef0d5df | Richard Berger | Use factory for bond style creation | Sep 8 2016 | ||||
95ee6440add0 | Richard Berger | Use pair_map to list pair styles | Sep 8 2016 | ||||
00b08bb5e1fe | Richard Berger | Use compute_map and fix_map to list compute and fix styles | Sep 8 2016 | ||||
e483cb9ef977 | Richard Berger | Use command_map to list command styles | Sep 8 2016 | ||||
06e3a11c2dd5 | Richard Berger | Add styles output to info command | Sep 8 2016 | ||||
7e8440cbab58 | Steve Plimpton | undo changes to vashishita/omp | Sep 7 2016 | ||||
43b05a60c70e | Steve Plimpton | created vashishta/table variant | Sep 7 2016 | ||||
0fe7d1d3612c | Axel Kohlmeyer | correct internal links for Modify LAMMPS section | Sep 7 2016 | ||||
346ff4249833 | Axel Kohlmeyer | correct reference in modify section | Sep 7 2016 | ||||
5feedbd8291d | Axel Kohlmeyer | regenerate html pages with new txt2rst tool | Sep 7 2016 | ||||
44ce6fac4b91 | Axel Kohlmeyer | replace backquote with regular quote and `` + '' with double quote. | Sep 7 2016 | ||||
70d6718aa312 | Axel Kohlmeyer | Update discussion on parallel python packages. There seem to be only two left. | Sep 7 2016 | ||||
348b677148ce | Axel Kohlmeyer | Make formatting and links more consistent and unique | Sep 7 2016 | ||||
4c783ea3b726 | Richard Berger/Axel Kohlmeyer | Enforce l,ule or l,ole command order for RST | Sep 7 2016 | ||||
9e8256aeb0b7 | Richard Berger/Axel Kohlmeyer | Refactored code and escape RST special character '_' | Sep 7 2016 | ||||
925f1bfb6fc9 | Richard Berger/Axel Kohlmeyer | Escape RST special character '^' and take care of special math cases | Sep 7 2016 | ||||
3f312244a01d | Richard Berger/Axel Kohlmeyer | Escape RST special character '*' in final output | Sep 7 2016 | ||||
55022d126306 | Axel Kohlmeyer | replace :l,ule and :l,ole with :l :ule or :l :ole | Sep 7 2016 | ||||
0d491d483c23 | Axel Kohlmeyer | avoid Inline substitution_reference start-string without end-string | Sep 7 2016 | ||||
a31c5073706c | Axel Kohlmeyer | correct error message text, sync with source | Sep 7 2016 | ||||
3a74ccffa2ed | Axel Kohlmeyer | update colvars library to version 2016-09-03 | Sep 7 2016 | ||||
c8cfd53c1b86 | Axel Kohlmeyer | adjust makefiles in lib tree, so they don't return an error exit code on "make… | Sep 7 2016 | ||||
16607a0132d5 | Axel Kohlmeyer | update colvars library to version 2016-08-19 | Sep 7 2016 | ||||
3b476d914f5e | Axel Kohlmeyer | update colvars to version 2016-08-10 | Sep 7 2016 | ||||
977b9e542f5d | Axel Kohlmeyer | update colvars to another set of changes from the upstream repo | Sep 7 2016 | ||||
1b33d00785b9 | Axel Kohlmeyer | update colvars makefile dependencies | Sep 7 2016 | ||||
3d2e5d0a5031 | Axel Kohlmeyer | suppress compiler warning | Sep 7 2016 | ||||
ec2a6b9f0de3 | Axel Kohlmeyer | update colvars to version 2016-08-10 | Sep 7 2016 | ||||
77620106a43e | Axel Kohlmeyer | update colvars library to version 2016-08-05 | Sep 7 2016 | ||||
f56c41eec047 | Axel Kohlmeyer | update with correct error description. sync with manual. | Sep 7 2016 | ||||
fc2d87830538 | Axel Kohlmeyer | update manual introduction to represent current status. correct some markup to… | Sep 7 2016 | ||||
1c17b9850056 | Axel Kohlmeyer | Merge branch 'integration' into doc-corrections-and-updates | Sep 7 2016 | ||||
91381525638c | Axel Kohlmeyer | Merge branch 'integration' into small-bugfixes | Sep 7 2016 | ||||
ace5dc3c7c9a | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-rw/clean-up-docs-for-sphinx' into clean-up… | Sep 7 2016 | ||||
0252347d43c5 | Steve Plimpton | sync with 7Sep16 patch | Sep 7 2016 | ||||
c9455c90dee3 | sjplimp/GitHub | Merge pull request #20 from akohlmey/lammps-contribute | Sep 7 2016 | ||||
1e4d6fee93cf | sjplimp/GitHub | Merge pull request #19 from akohlmey/clean-up-docs-for-sphinx | Sep 7 2016 | ||||
42db93e1980b | Axel Kohlmeyer | one more small correction to document recent fix ave/time changes | Sep 6 2016 | ||||
906bd2454318 | Axel Kohlmeyer | fix typos | Sep 6 2016 |
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