lammps/srcmaster
lammps/src
master
History Graph
History Graph
| Commit | Author | Details | Committed | |||
|---|---|---|---|---|---|---|
| 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 | |||
| 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 | |||
| 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 | |||
| 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 | |||
| 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 | |||
| 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 | |||
| abf05eed6171 | Steve Plimpton | comm tiled bug fix | Sep 16 2016 | |||
| 76d876f86165 | Richard Berger | Allow detection of MPI_Abort condition in library call | 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 | |||
| 62bf307d3cc6 | Richard Berger | Fix bug introduced into Make.py by latest changes | Sep 15 2016 | |||
| 90e22a79097d | Axel Kohlmeyer | Merge branch 'integration' into weighted-balancing | 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 | |||
| ed52f9ea5e39 | Steve Plimpton | 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 | |||
| 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 | |||
| 4b22443b25d2 | Richard Berger | Add feature category to is_available function | Sep 9 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 | |||
| 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 | |||
| 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 | |||
| 44ce6fac4b91 | Axel Kohlmeyer | replace backquote with regular quote and `` + '' with double quote. | Sep 7 2016 | |||
| 3b476d914f5e | Axel Kohlmeyer | update colvars to version 2016-08-10 | Sep 7 2016 | |||
| f56c41eec047 | Axel Kohlmeyer | update with correct error description. sync with manual. | Sep 7 2016 | |||
| 91381525638c | Axel Kohlmeyer | Merge branch 'integration' into small-bugfixes | Sep 7 2016 | |||
| 0252347d43c5 | Steve Plimpton | sync with 7Sep16 patch | Sep 7 2016 | |||
| 4314299be910 | Axel Kohlmeyer | harden fix shear/history against use-after-delete and from incorrect use of… | Sep 6 2016 | |||
| 3bb3c1a45c81 | Steve Plimpton | add pppm/kk and fix reax/c issues | Sep 6 2016 | |||
| 0f7873c0b8d2 | Axel Kohlmeyer | Merge branch 'integration' into weighted-balancing | Sep 1 2016 | |||
| b12ad2cecf64 | Axel Kohlmeyer | Merge branch 'integration' into vashishta-tabulation | Sep 1 2016 | |||
| 639ab0fd3e37 | Steve Plimpton | Merge branch 'core/cpp_exceptions' of https://github.com/rbberger/lammps into… | Sep 1 2016 | |||
| 7c01ef57eeb0 | Steve Plimpton | sync with SVN | Aug 31 2016 | |||
| 0316bb579be8 | sjplimp/GitHub | Merge pull request #3 from akohlmey/fix-flow-gauss | Aug 31 2016 | |||
| eac721772089 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-rw/integration' into weighted-balancing | Aug 31 2016 |
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