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History Graph
Commit | Author | Details | Committed | ||||
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9a2f7386731e | Steve Plimpton | sync with SVN | Sep 27 2016 | ||||
a3a3af691c07 | Steve Plimpton | Merge branch 'balance' into integration | Sep 27 2016 | ||||
f9677e6d7b71 | Steve Plimpton | released version of weighted balancing | Sep 27 2016 | ||||
8a951f9d7983 | Axel Kohlmeyer | fix typo | Sep 27 2016 | ||||
69a8842ecb81 | Axel Kohlmeyer | update load balance weights documentation for fix balance and balance | Sep 27 2016 | ||||
2af5c75f4269 | Axel Kohlmeyer | correct issue from merge | Sep 27 2016 | ||||
158599fca211 | Axel Kohlmeyer | Merge branch 'balance2' into weighted-balancing | Sep 27 2016 | ||||
c31b026797cf | Axel Kohlmeyer | Merge branch 'integration' into weighted-balancing | Sep 26 2016 | ||||
47b52ed2ddf4 | Axel Kohlmeyer | Merge branch 'integration' into balance2 | Sep 26 2016 | ||||
b97b9dd66188 | Steve Plimpton | new fix cmap command | Sep 26 2016 | ||||
86d17a578411 | sjplimp/GitHub | Merge pull request #42 from akohlmey/redo-fix-ti-spring-fixes | Sep 23 2016 | ||||
c00cd6192d9c | sjplimp/GitHub | Merge pull request #41 from akohlmey/doc-fixes | Sep 23 2016 | ||||
fc031c34bddd | sjplimp/GitHub | Merge pull request #40 from akohlmey/eam-fixes-for-scale | Sep 23 2016 | ||||
d730cda2480f | sjplimp/GitHub | Merge pull request #37 from rbberger/library_interface_abort | Sep 23 2016 | ||||
6f4b7268ded6 | Steve Plimpton | sync with SVN | Sep 23 2016 | ||||
08f0bf90253e | Steve Plimpton | new verion of balance weighting | Sep 23 2016 | ||||
3d5f5bf40e58 | Axel Kohlmeyer | a few more consolidations of link anchors | Sep 23 2016 | ||||
065d35eefa45 | Axel Kohlmeyer | update kokkos compilation instructions to use provided preset makefiles | Sep 23 2016 | ||||
378524903330 | Axel Kohlmeyer | use "make mpi" instead of "make g++" in examples | Sep 23 2016 | ||||
e18941e865b8 | Axel Kohlmeyer | delete bogus line (how did this get into the docs?) | Sep 23 2016 | ||||
c6cebe66c75d | Axel Kohlmeyer | making more links and anchors consistent and correct errors | Sep 23 2016 | ||||
08d9792ec854 | Axel Kohlmeyer | add an additional explanation to compute XXX/tally docs and fix a typo | Sep 23 2016 | ||||
c10aa55fc15d | Axel Kohlmeyer | Merge branch 'integration' into doc-fixes | Sep 22 2016 | ||||
2bf6688388f9 | Axel Kohlmeyer | fix bug in fix_modify respa reported by steven early strong on lammps-users | Sep 22 2016 | ||||
b3217218d67b | Steve Plimpton | doc page sync with SVN | Sep 22 2016 | ||||
68d6f105d018 | Axel Kohlmeyer | need to add removed fix ti/rs to purge list | Sep 21 2016 | ||||
b27179bbef55 | Axel Kohlmeyer | restore bugfixes and updates that were lost. flag time dependet. correct use of… | Sep 21 2016 | ||||
90ff54c44fa3 | Richard Berger | Ensure all library functions capture exceptions | Sep 21 2016 | ||||
2943dd5c12d6 | Axel Kohlmeyer | correct another broken link in fix ti/spring | Sep 21 2016 | ||||
33d9a55d358f | Axel Kohlmeyer | remove references to docs for fix ti/rs | Sep 21 2016 | ||||
5345efb5b87f | Axel Kohlmeyer | correct broken link in updated fix ti/spring docs | Sep 21 2016 | ||||
9bedb8a1c9cf | Axel Kohlmeyer | ignore generated files in html folder | Sep 21 2016 | ||||
0d7e4f1e8827 | Axel Kohlmeyer | update docs for pair style gauss/cut to document optional per pair cutoff | Sep 21 2016 | ||||
9ef748bbaaa9 | Steve Plimpton | remvoing doc/html | Sep 21 2016 | ||||
259177630a79 | Axel Kohlmeyer | whitespace cleanup | Sep 20 2016 | ||||
10034ce336d0 | Axel Kohlmeyer | port support for scale[] factor with fix adapt to OPT and USER-OMP | Sep 20 2016 | ||||
281ace327fb1 | Axel Kohlmeyer | we should scale energies as well as forces | Sep 20 2016 | ||||
c6ee5065ed20 | Axel Kohlmeyer | allow to override PairEAM::extract() | Sep 20 2016 | ||||
04eadb634194 | Richard Berger | Merge remote-tracking branch 'akohlmey/integration' into library_interface_abort | Sep 20 2016 | ||||
f4263e3849ec | Richard Berger | Simplify MPI abort code path, make C++ exceptions optional | Sep 20 2016 | ||||
b4e28767760e | Richard Berger | Fix typo | Sep 20 2016 | ||||
3a73a1476e2b | Axel Kohlmeyer | disable use of fix adapt with EAM for GPU+KOKKOS and CDEAM | Sep 20 2016 | ||||
5c37fccf49c2 | Steve Plimpton | fix ti/spring for eam/allow and eam/fs | Sep 20 2016 | ||||
b9b044e180df | Steve Plimpton | new fix ti/spring command, remove fix ti/rs | Sep 20 2016 | ||||
7dc8746f9ec2 | sjplimp/GitHub | Merge pull request #39 from akohlmey/small-bugfixes | Sep 20 2016 | ||||
5d89493a1012 | sjplimp/GitHub | Merge pull request #38 from akohlmey/consolidate-pycache | Sep 20 2016 | ||||
7bb880f0a843 | Axel Kohlmeyer | remove debug code | Sep 20 2016 | ||||
849ff25d9206 | Axel Kohlmeyer | demote OMP_NUM_THREAD "warning" to "message" in the hope to be less confusing… | Sep 20 2016 | ||||
faa0b401aa91 | Axel Kohlmeyer | fix argument indexing bug in fix ave/atom | Sep 20 2016 | ||||
aa9fe38c5c97 | Axel Kohlmeyer | consolidate ignoring python bytecompiled cache files | Sep 17 2016 | ||||
719d7c65b6a0 | Richard Berger | Make exceptions control flow and functions optional | Sep 17 2016 | ||||
8db7ef436481 | Richard Berger | Merge remote-tracking branch 'akohlmey/integration' into library_interface_abort | Sep 17 2016 | ||||
d17421eb7c2e | sjplimp/GitHub | Merge pull request #36 from akohlmey/small_bugfixes_and_cleanups | Sep 16 2016 | ||||
60dfdbc06302 | sjplimp/GitHub | Merge pull request #35 from akohlmey/lj_sf_dipole_sf_correction | Sep 16 2016 | ||||
e4bd63759b96 | sjplimp/GitHub | Merge pull request #34 from rbberger/make_py_fixes | Sep 16 2016 | ||||
ca558f6712fe | sjplimp/GitHub | Merge pull request #33 from rbberger/pylammps_additions | Sep 16 2016 | ||||
abf05eed6171 | Steve Plimpton | comm tiled bug fix | Sep 16 2016 | ||||
72ce8ff89f56 | sjplimp/GitHub | Merge pull request #31 from akohlmey/doc-cleanups-and-updates | Sep 16 2016 | ||||
76d876f86165 | Richard Berger | Allow detection of MPI_Abort condition in library call | Sep 16 2016 | ||||
9637a5b5306f | Axel Kohlmeyer | colvars bugfix. updates colvars library to version 2016-09-14 | Sep 16 2016 | ||||
4149413057ec | Axel Kohlmeyer | reduce global name space pollution in pair style meam | Sep 15 2016 | ||||
400ef87c0537 | Axel Kohlmeyer | make certain, that -log() doesn't overflow and assign a suitable maximum number… | Sep 15 2016 | ||||
e9e9790d6e4a | Axel Kohlmeyer | corrections for pair style lj/sf/dipole/sf and its /omp variant | Sep 15 2016 | ||||
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 | ||||
2831f50790cc | Axel Kohlmeyer | Merge branch 'integration' into doc-cleanups-and-updates | Sep 15 2016 | ||||
62bf307d3cc6 | Richard Berger | Fix bug introduced into Make.py by latest changes | Sep 15 2016 | ||||
5cdc48dd0c24 | Richard Berger | Update ipython example to show interface usage | Sep 14 2016 | ||||
0ec8fa02e09e | Richard Berger | Make thermo output accessable through PyLammps | Sep 14 2016 | ||||
2fb666dc6999 | Steve Plimpton | Merge branch 'doc' into integration | Sep 14 2016 | ||||
6e3705f3809d | Richard Berger | Allow writing input script from Python session | Sep 14 2016 | ||||
40b68820d968 | Axel Kohlmeyer | update html docs to be used with latest version of converter tools | Sep 14 2016 | ||||
90e22a79097d | Axel Kohlmeyer | Merge branch 'integration' into weighted-balancing | Sep 14 2016 | ||||
2f298951cff2 | Steve Plimpton | resolved conflicts | Sep 14 2016 | ||||
717e719b8300 | Steve Plimpton | HTML update | Sep 14 2016 | ||||
523c70e0bedc | Axel Kohlmeyer | regenerate html files one more time | Sep 14 2016 | ||||
77e0a848774b | Axel Kohlmeyer | fix an inconsistency and a typo | Sep 14 2016 | ||||
9779911cea34 | Axel Kohlmeyer | regenerate html files from scratch after merging from upstream and including… | Sep 14 2016 | ||||
1ad15b8711a4 | Axel Kohlmeyer | Merge branch 'integration' into doc-cleanups-and-updates | Sep 14 2016 | ||||
7025a3f5d179 | Axel Kohlmeyer/GitHub | Merge pull request #32 from rbberger/doc-cleanups-and-updates | Sep 14 2016 | ||||
df304f8ca196 | Richard Berger | Updated HTML after latest tool changes and corrections | Sep 14 2016 | ||||
3c88fa1436ff | Richard Berger | Fix bug introduced in latest changes | Sep 14 2016 | ||||
b7ddc860c7f5 | Richard Berger | Fix error in Manual.txt | Sep 14 2016 | ||||
c61d5a1a2959 | Richard Berger | Raise exception and output error if ulb,ule and olb,ole are unbalanced | 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 | ||||
1dc19eceb2d7 | Richard Berger | Update unit tests to reflect new behavior | Sep 14 2016 | ||||
ae6b540d3cca | Richard Berger | Add indentation to multi-paragraph entries | 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 | ||||
300d1ef52e23 | Richard Berger | Remove references to former empty file | Sep 13 2016 | ||||
633840c87672 | Richard Berger | remove empty file | Sep 13 2016 | ||||
c44228b0ccec | Richard Berger | Created more complete TOC and indices | Sep 13 2016 | ||||
90f6395ddc58 | Richard Berger | Filter out more header numbers | Sep 13 2016 |
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