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History Graph
| Commit | Author | Details | Committed | ||||
|---|---|---|---|---|---|---|---|
| 8c9db3ea0010 | Trung Nguyen | Built 2-body short neighbor list and used for 2-body kernels in tersoff gpu… | Jul 11 2017 | ||||
| e30c5fc9560c | Ryan S. Elliott | Fixed shebang and renamed to lib/kim/Install.py | Jul 11 2017 | ||||
| c29e8fba9bd0 | Ryan S. Elliott | Updated lib/kim/README file to go along with new install.py | Jul 11 2017 | ||||
| 8d592f4b9e43 | Ryan S. Elliott | Finalized code for lib/kim/install.py | Jul 10 2017 | ||||
| c9a0d38a3eff | Axel Kohlmeyer | mention restriction for use with fix shake or fix rigid in fix gcmc docs | Jul 10 2017 | ||||
| b5e9e90bb66d | Axel Kohlmeyer | white space cleanup | Jul 10 2017 | ||||
| 92395e9bb412 | Axel Kohlmeyer | disallow MC moves with fix rigid and fix shake active. update examples and add… | Jul 10 2017 | ||||
| ea2b01e83b91 | Trung Nguyen | Refactored 3-body gpu styles to remove code duplication | Jul 9 2017 | ||||
| 34fe2273f64b | Trung Nguyen | Added short neighbor list implementation for tersoff/zbl/gpu and tersoff/mod/gpu | Jul 8 2017 | ||||
| 77c60189b8cd | Trung Nguyen | Minor cleanups for tersoff/gpu | Jul 8 2017 | ||||
| 1c6533e53df2 | Trung Nguyen | Working on short neighbor list for tersoff/gpu | Jul 8 2017 | ||||
| 68206079da39 | Trung Nguyen | Supported short neighbor lists for 3-body kernels in sw/gpu and vashishta/gpu | Jul 7 2017 | ||||
| 71ddcaf0b607 | Axel Kohlmeyer | whitespace cleanup | Jul 7 2017 | ||||
| fe888e462219 | Axel Kohlmeyer | add support for recomputing normalization factors and finite size correction… | Jul 7 2017 | ||||
| b0be8b24eac9 | Ryan S. Elliott | Further work on lib/kim/install.py | Jul 6 2017 | ||||
| 16fc2d6fe179 | Ryan S. Elliott | Add install.py and update config for kim lib | Jul 6 2017 | ||||
| 7193fffe0d1c | Axel Kohlmeyer | make example input / output conform with LAMMPS conventions (no dump files, no… | Jul 6 2017 | ||||
| 433937994877 | Steve Plimpton | patch 6Jul17 | Jul 6 2017 | ||||
| 23925b3a57fc | Axel Kohlmeyer | update fix wall/ees and wall/region/ees file to conform more to common… | Jul 6 2017 | ||||
| 423e3b6389dc | Axel Kohlmeyer | integrate fix wall/ees and wall/region/ees into doc system | Jul 6 2017 | ||||
| 87af3b1fd982 | sjplimp/GitHub | Merge pull request #564 from lammps/fix-external | Jul 6 2017 | ||||
| 8be6d5bfd841 | Abdoreza Ershadinia/GitHub | Merged two doc files | Jul 6 2017 | ||||
| a62eb43791da | Abdoreza Ershadinia/GitHub | Delete "fix_wall_region_ees.txt" | Jul 6 2017 | ||||
| 33be51af5432 | Abdoreza Ershadinia/GitHub | Deleted "fix wall/region/ees" doc file | Jul 6 2017 | ||||
| 47649ff50f3a | Abdo | some edits to make examples more illustrative. | Jul 6 2017 | ||||
| 042397120500 | Axel Kohlmeyer | whitespace cleanup | Jul 6 2017 | ||||
| 4ee7c6f5caa8 | Axel Kohlmeyer | remove code without effect | Jul 6 2017 | ||||
| 7f63c09667ff | Axel Kohlmeyer | correct comment for Fix::ev_setup() | Jul 6 2017 | ||||
| a5234d7aeaf5 | Axel Kohlmeyer | fix bug reported by richard berger via https://ci.lammps. | Jul 6 2017 | ||||
| fa469ae1d0b2 | Axel Kohlmeyer | add polyethylene airebo example for future reference | Jul 5 2017 | ||||
| e493b6a648b2 | Markus Hoehnerbach | Fix sigcut class variable actually used | Jul 5 2017 | ||||
| be8360ac4bd8 | sjplimp/GitHub | Merge pull request #562 from lammps/fix-external | Jul 5 2017 | ||||
| 4de9cec1b63b | Axel Kohlmeyer | make old_velocities allocation safer while retaining the test for nlocal | Jul 5 2017 | ||||
| 8c3f6947ad48 | Axel Kohlmeyer | remove unused variables to silence compiler warnings | Jul 5 2017 | ||||
| 894e0c3cf506 | Axel Kohlmeyer | simplify parsing of optional arguments | Jul 5 2017 | ||||
| 09ad29342555 | Axel Kohlmeyer | remove dead code | Jul 5 2017 | ||||
| e625e7917190 | Axel Kohlmeyer | safer handling of processors w/o local atoms | Jul 5 2017 | ||||
| f1088a5003dd | Axel Kohlmeyer | changes requested by @sjplimp | Jul 5 2017 | ||||
| d451dbb1a079 | Axel Kohlmeyer | adjust EES wall input example to print out some thermodynamic info that can be… | Jul 5 2017 | ||||
| 6eddc1a2ee77 | Axel Kohlmeyer | coding style and whitespace cleanup to match LAMMPS style | Jul 5 2017 | ||||
| 1bf1cb150fae | Markus Hoehnerbach | Updated credits | Jul 5 2017 | ||||
| ea4f16bd79df | Steve Plimpton | additional fix external hooks for calling programs | Jul 5 2017 | ||||
| 9fa4588eb720 | Abdoreza Ershadinia/GitHub | fixed a typo | Jul 5 2017 | ||||
| f5440a777b7d | Abdo | Merge branch 'master' of https://github.com/aershadinia/lammps hello | Jul 5 2017 | ||||
| 92831f185b3f | Abdo | Merge branch 'master' of https://github.com/aershadinia/lammps | Jul 5 2017 | ||||
| 8e279d4ec84e | Abdo | Examples moved | Jul 5 2017 | ||||
| cbd8f997548f | Abdoreza Ershadinia/GitHub | Restrictions Added | Jul 5 2017 | ||||
| b720f391637b | Abdoreza Ershadinia/GitHub | Restrictions Added | Jul 5 2017 | ||||
| ff761d639a78 | Markus Hoehnerbach | Sync AIREBO USER-OMP implementation. | Jul 5 2017 | ||||
| d2f7f4843a7c | Markus Hoehnerbach | AIREBO Fix Credits | Jul 5 2017 | ||||
| 7e42af18bc68 | Markus Hoehnerbach | Feature: AIREBO parametrize cutoff switching | Jul 5 2017 | ||||
| 74d63c24fd34 | Markus Hoehnerbach | Fix AIREBO missing derivative in bondorderLJ | Jul 5 2017 | ||||
| 769870cfc957 | Markus Hoehnerbach | Proper spline coefficient calculation for AIREBO | Jul 5 2017 | ||||
| e0521f27b42d | Abdoreza Ershadinia/GitHub | Added reference to example directory. | Jul 5 2017 | ||||
| 5eb5391b20c7 | Abdoreza Ershadinia/GitHub | Add reference to example | Jul 5 2017 | ||||
| d3b8e688c972 | Abdo | Files Added to MISC | Jul 5 2017 | ||||
| 67d474df2a5d | Abdo | deleteing USER-EES | Jul 5 2017 | ||||
| d0a397d6cb2e | sjplimp/GitHub | Merge pull request #559 from lammps/fortran3 | Jul 3 2017 | ||||
| f670dba3d019 | Steve Plimpton | 3rd variant of Fortran wrapper for DFTB+ calling LAMMPS | Jul 3 2017 | ||||
| 6fc0a94e8783 | sjplimp/GitHub | Merge pull request #524 from martok/package-meamc | Jul 3 2017 | ||||
| 5c0c8bb4cdbc | sjplimp/GitHub | Merge pull request #558 from lammps/intel | Jul 3 2017 | ||||
| 9eeb97b039f7 | sjplimp/GitHub | Merge pull request #544 from akohlmey/tip4p-triclinic | Jul 3 2017 | ||||
| 9ca9b5e2ffbd | Axel Kohlmeyer | add authors tag to pull request template | Jul 3 2017 | ||||
| db73eca29f59 | Axel Kohlmeyer | correct example inputs for recent changes to create_bonds command | Jul 3 2017 | ||||
| 2d1941ed9b16 | Axel Kohlmeyer | make USER-INTEL compilable again with gcc and without OpenMP active | Jul 3 2017 | ||||
| e634c5a2dec8 | Steve Plimpton | memory allocation bugfix for USER-INTEL pppm from M Brown | Jul 3 2017 | ||||
| 22f3db472321 | Axel Kohlmeyer | remove some dead code and prune argument lists accordingly | Jul 2 2017 | ||||
| a1574fc03d87 | Axel Kohlmeyer | remove unused variables | Jul 1 2017 | ||||
| d68fb1cbb82d | Axel Kohlmeyer | avoid repeated computation of deltaik and deltajk, calls to pow() | Jul 1 2017 | ||||
| 060e32973ef9 | Axel Kohlmeyer | another speedup by folding dsij() into meam_force() | Jul 1 2017 | ||||
| a4a15f24bdc1 | Axel Kohlmeyer | fold screen() function into getscreen() and avoid some repeated operations | Jul 1 2017 | ||||
| 883b7aaa0efc | sjplimp/GitHub | Merge pull request #557 from lammps/create-bonds | Jun 30 2017 | ||||
| 1fff30af90e7 | Axel Kohlmeyer | update or create example outputs for meam and meam/c | Jun 30 2017 | ||||
| a490e04d2402 | Axel Kohlmeyer | add backward compatibility item to pull request template | Jun 30 2017 | ||||
| b445f8eadf67 | Axel Kohlmeyer | spell-check new additions to create_bonds doc page | Jun 30 2017 | ||||
| b79044d4f60f | sjplimp/GitHub | Merge pull request #554 from jewettaij/master | Jun 30 2017 | ||||
| 711afe5062ff | Steve Plimpton | add single options to create_bonds command | Jun 30 2017 | ||||
| 3bf2c602765f | sjplimp/GitHub | Merge pull request #553 from Pakketeretet2/USER-MANIFOLD-gaussian-bump | Jun 30 2017 | ||||
| d5119b2d753a | sjplimp/GitHub | Merge pull request #550 from stanmoore1/kokkos_leakfix | Jun 30 2017 | ||||
| b2b621a2e18b | sjplimp/GitHub | Merge pull request #547 from akohlmey/collected-bugfixes | Jun 30 2017 | ||||
| b5250d11f63c | sjplimp/GitHub | Merge pull request #545 from akohlmey/issue-and-pull-request-templates | Jun 30 2017 | ||||
| 9dad95d10140 | Axel Kohlmeyer | performance improvement through moving inlinable functions to header file | Jun 30 2017 | ||||
| f6faad335cf5 | Axel Kohlmeyer | update documentation for nb3/harmonic pair style according to e-mail to lammps… | Jun 30 2017 | ||||
| 55487047006f | Sebastian Hütter | Move stateless functions to separate module, improve style | Jun 30 2017 | ||||
| e0939ac79577 | Sebastian Hütter | Re-Run clang-format | Jun 30 2017 | ||||
| d5921e9fb9e8 | Axel Kohlmeyer | consolidate and update error message and read_data documentation for the… | Jun 29 2017 | ||||
| aa3f4b76905b | Axel Kohlmeyer | change the handling of reading "extra XXX per atom", so that the final choice… | Jun 29 2017 | ||||
| 38075455b674 | Andrew Jewett | new keywords for read_data: extra/X/per/atoms + changes to docs | Jun 29 2017 | ||||
| fa3063546542 | Andrew Jewett | Revert "added feature to write_data.cpp to support "extra bonds" (angles… | Jun 29 2017 | ||||
| 0c2f7c74be34 | Andrew Jewett | added feature to write_data.cpp to support "extra bonds" (angles,dihedrals… | Jun 28 2017 | ||||
| 91bce7ccf95e | Stefan Paquay | Replaced std::fabs with fabs. | Jun 28 2017 | ||||
| d0470799ac8b | Axel Kohlmeyer | consistently check for all per-atom-type masses being set only when per-atom… | Jun 28 2017 | ||||
| 076990c28a67 | Stefan Paquay | Updated Gaussian bump so that it has a better taper function. | Jun 27 2017 | ||||
| 661e51b6079c | Axel Kohlmeyer | remove non-ascii characters and spell check | Jun 27 2017 | ||||
| d076040471ca | Axel Kohlmeyer | use itemized list instead of paragraphs for links at the top | Jun 27 2017 | ||||
| 2f9c0a3b8efd | Axel Kohlmeyer | more formatting issues addressed | Jun 27 2017 | ||||
| b9d213ee2bfb | Axel Kohlmeyer | update formatting for contributing ToC | Jun 27 2017 | ||||
| fa3c7727e103 | Axel Kohlmeyer | contributing guidelines, issue and pull request template are now feature… | Jun 27 2017 | ||||
| 9fec8a0470bd | Stan Moore | Remove clean_copy function from pair_vashishta_kokkos | Jun 26 2017 | ||||
| b8897765572e | Stan Moore | Fixing memory leak in Kokkos neighborlist | Jun 26 2017 |
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