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Commit | Author | Details | Committed | ||||
---|---|---|---|---|---|---|---|
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 | ||||
31e41707e0f9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15632 f3b2605a-c512-4ea7… | Sep 22 2016 | ||||
32cec47ffb36 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15631 f3b2605a-c512-4ea7… | Sep 22 2016 | ||||
c22df8db570d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15630 f3b2605a-c512-4ea7… | Sep 22 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 | ||||
d0bbf3fb9785 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15629 f3b2605a-c512-4ea7… | Sep 22 2016 | ||||
32872a7b35f0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15628 f3b2605a-c512-4ea7… | Sep 22 2016 | ||||
6dd4480482cf | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15626 f3b2605a-c512-4ea7… | Sep 22 2016 | ||||
26e16ed9681d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15625 f3b2605a-c512-4ea7… | Sep 22 2016 | ||||
ca5ad04b019d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15624 f3b2605a-c512-4ea7… | Sep 22 2016 | ||||
0329aaaf7228 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15623 f3b2605a-c512-4ea7… | Sep 22 2016 | ||||
fc434b36b308 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15622 f3b2605a-c512-4ea7… | Sep 21 2016 | ||||
a1364adce1bb | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15621 f3b2605a-c512-4ea7… | Sep 21 2016 | ||||
c382759406cd | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15620 f3b2605a-c512-4ea7… | Sep 21 2016 | ||||
e7fb82a645bc | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15619 f3b2605a-c512-4ea7… | Sep 21 2016 | ||||
03c5ce601bab | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15618 f3b2605a-c512-4ea7… | Sep 21 2016 | ||||
d7c6f57fe4d8 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15617 f3b2605a-c512-4ea7… | Sep 21 2016 | ||||
0bcd90195d55 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15616 f3b2605a-c512-4ea7… | Sep 21 2016 | ||||
d3406df6a0ca | Richard Berger | Updated instructions in IPython notebooks | Sep 21 2016 | ||||
72c5792230bf | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15615 f3b2605a-c512-4ea7… | Sep 21 2016 | ||||
a4c8c9b1f973 | Richard Berger | Strip IPython notebooks of output | Sep 21 2016 | ||||
f1183cb97c19 | Richard Berger | Remove old copies of IPython notebooks | Sep 21 2016 | ||||
71f7dde12acb | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15614 f3b2605a-c512-4ea7… | Sep 21 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 | ||||
f8c8434c44d4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15613 f3b2605a-c512-4ea7… | 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 | ||||
3eee5849565b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15612 f3b2605a-c512-4ea7… | Sep 20 2016 | ||||
26b9b955a96f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15611 f3b2605a-c512-4ea7… | Sep 20 2016 | ||||
fe73c3e4e31b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15610 f3b2605a-c512-4ea7… | Sep 20 2016 | ||||
b9b044e180df | Steve Plimpton | new fix ti/spring command, remove fix ti/rs | Sep 20 2016 | ||||
8944d48bd117 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15608 f3b2605a-c512-4ea7… | Sep 20 2016 | ||||
f86bd1fcebcb | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15607 f3b2605a-c512-4ea7… | Sep 20 2016 | ||||
f1d3637b0387 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15605 f3b2605a-c512-4ea7… | Sep 20 2016 | ||||
ce3676677ef2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15604 f3b2605a-c512-4ea7… | Sep 20 2016 | ||||
f81f0da7341d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15603 f3b2605a-c512-4ea7… | Sep 20 2016 | ||||
ed9f13663bac | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15602 f3b2605a-c512-4ea7… | Sep 20 2016 | ||||
4f941abdfd2a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15601 f3b2605a-c512-4ea7… | Sep 20 2016 | ||||
af4a42345fcc | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15600 f3b2605a-c512-4ea7… | Sep 20 2016 | ||||
df0ed58bbdcc | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15599 f3b2605a-c512-4ea7… | Sep 20 2016 | ||||
8b80d0cf9a8f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15598 f3b2605a-c512-4ea7… | Sep 20 2016 | ||||
558303072d04 | sjplimp | sync with GH | 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 | ||||
900c83960e6f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15595 f3b2605a-c512-4ea7… | Sep 18 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 | ||||
484122b8b610 | sjplimp | sync with GH | Sep 16 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 | ||||
ed532358ad99 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15591 f3b2605a-c512-4ea7… | Sep 16 2016 | ||||
5336ec07357c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15590 f3b2605a-c512-4ea7… | Sep 16 2016 | ||||
7d77aea42d30 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15589 f3b2605a-c512-4ea7… | Sep 16 2016 | ||||
6fd60f50ad7d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15588 f3b2605a-c512-4ea7… | 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 | ||||
54b2f3c970d6 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15583 f3b2605a-c512-4ea7… | Sep 15 2016 | ||||
e14eab610e78 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15582 f3b2605a-c512-4ea7… | Sep 15 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 | ||||
2049fa738045 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15581 f3b2605a-c512-4ea7… | Sep 15 2016 | ||||
cf33c0e7fba4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15580 f3b2605a-c512-4ea7… | 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 | ||||
b23e9f0d548e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15579 f3b2605a-c512-4ea7… | Sep 14 2016 |
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