Graphmaster
Graph
master
History Graph
History Graph
Commit | Author | Details | Committed | ||||
---|---|---|---|---|---|---|---|
5d38cbbce9c6 | sjplimp/GitHub | Merge pull request #487 from akohlmey/pair_edip_multi_element | May 18 2017 | ||||
30babd81570f | sjplimp/GitHub | Merge pull request #485 from akohlmey/pair_settings_cut_bugfix | May 18 2017 | ||||
aa09f45b7e1e | sjplimp/GitHub | Merge pull request #484 from akohlmey/add-gao-weber-styles | May 18 2017 | ||||
4b61cf6f52f3 | sjplimp/GitHub | Merge pull request #483 from akohlmey/airebo-spline-bugfix-refactor | May 18 2017 | ||||
683f3d9d2ac3 | sjplimp/GitHub | Merge pull request #481 from akohlmey/collected-small-changes | May 18 2017 | ||||
ce18524251fe | sjplimp/GitHub | Merge pull request #480 from akohlmey/pair_morse_smooth_linear_bugfix | May 18 2017 | ||||
95dae9737b74 | sjplimp/GitHub | Merge pull request #488 from lammps/neigh_occasional_bugfix | May 18 2017 | ||||
4b1914aa1f29 | Axel Kohlmeyer | update citations for multi-element edip potential | May 18 2017 | ||||
bd11479a1688 | Axel Kohlmeyer | lock the sphinx command to version 1.5.6, since version 1.6.x seems to break… | May 18 2017 | ||||
278b9f7fba47 | Axel Kohlmeyer | move pair gw and gw/zbl to USER-MISC package | May 17 2017 | ||||
085f3afdfb08 | Axel Kohlmeyer | fix typo in docs | May 17 2017 | ||||
8936b99e9f89 | Axel Kohlmeyer | add contributed SiC.edip potential file | May 17 2017 | ||||
597f95fb1b29 | Axel Kohlmeyer | fix duplicate reference | May 16 2017 | ||||
7f9a331c7355 | Steve Plimpton | bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue | May 16 2017 | ||||
35e92733e9da | Axel Kohlmeyer | import multi-element compatible pair style edip as edip/multi | May 16 2017 | ||||
c11e87618bc8 | Axel Kohlmeyer | implement second bugfix suggestion from @CF17 on issue #59 | May 16 2017 | ||||
ca87e571294f | Axel Kohlmeyer | improved version of AIREBO splines based on a suggestion by markus hoehnerbach | May 16 2017 | ||||
66084ad1f41a | Axel Kohlmeyer | fix typo in rerun docs. closes #486 | May 16 2017 | ||||
d807ba1974d5 | Axel Kohlmeyer | whitespace cleanup | May 16 2017 | ||||
51fc386e7224 | Axel Kohlmeyer | correct the inner loop range for resetting cutoffs when redefining a pair style | May 16 2017 | ||||
d9d4ef17c806 | Axel Kohlmeyer | add gao-weber potentials (regular and with ZBL core) with SiC potential files | May 15 2017 | ||||
0a40a7af7bef | Axel Kohlmeyer | whitespace cleanup | May 15 2017 | ||||
eb6f6a77e5cc | Axel Kohlmeyer | dead code removal | May 15 2017 | ||||
fb7164a8110b | Axel Kohlmeyer | replace pow(x,-0.5) with 1.0/sqrt(x) | May 15 2017 | ||||
64cf52d3b557 | Axel Kohlmeyer | address spline out-of-bounds bug reported in issue #59 and refactor high-level… | May 15 2017 | ||||
6aa0250bc58f | Axel Kohlmeyer | corrections to pair style morse/smooth/linear contributed by David R. Heine | May 13 2017 | ||||
c5db3ff40126 | Axel Kohlmeyer | two small doc corrections from Andrew Jewett for pair style gauss and dihedral… | May 13 2017 | ||||
06c151421c4f | sjplimp/GitHub | Merge pull request #478 from akohlmey/add-python-source-cmd | May 12 2017 | ||||
0008b6fc2d18 | sjplimp/GitHub | Merge pull request #477 from lammps/renamings | May 12 2017 | ||||
b6a70ec6fd74 | Richard Berger | fixup docs after last change | May 12 2017 | ||||
c4d0f0709331 | Richard Berger | Allow fix python to only execute every N steps | May 12 2017 | ||||
93f603306126 | Richard Berger | Add documentation about fix python | May 12 2017 | ||||
110bb79b14cc | Richard Berger | Implement fix python mentioned in issue #454 | May 12 2017 | ||||
d84f8898b7b0 | Axel Kohlmeyer | implement functions to execute arbitrary python code from strings or files and… | May 12 2017 | ||||
27a6371f9b52 | Axel Kohlmeyer | implement a `python source` command as suggested in issue #454 | May 12 2017 | ||||
7c3b8e014c7b | Steve Plimpton | rename some USER/misc dirs | May 11 2017 | ||||
a069d21621b0 | sjplimp/GitHub | Merge pull request #476 from akohlmey/dump_custom_bugfix | May 11 2017 | ||||
d7f54464c628 | sjplimp/GitHub | Merge pull request #474 from rbberger/dump_vtk_fixes | May 11 2017 | ||||
998eb44e836f | sjplimp/GitHub | Merge pull request #473 from akohlmey/compress-for-reaxc-fixes | May 11 2017 | ||||
96d1de857539 | sjplimp/GitHub | Merge pull request #471 from akohlmey/fix-4may2017-issues | May 11 2017 | ||||
deff6ffaac3b | sjplimp/GitHub | Merge pull request #466 from DallasTrinkle/meam-spline-multicomponent | May 11 2017 | ||||
328ef873d838 | Axel Kohlmeyer | fix mixed memory alloc bug in dump custom. this closes #475 | May 11 2017 | ||||
4ecf876a6453 | Richard Berger | Added two examples of using the VTK dump style | May 11 2017 | ||||
c4ac5773cb0a | Richard Berger | Fix segmentation fault in dump vtk | May 11 2017 | ||||
cac1bf83ef42 | Richard Berger | Work around VTK 7 API change | May 11 2017 | ||||
abeb1e096ab6 | Axel Kohlmeyer | add support for gzip compressed output to fix reax/bonds, reax/c/bonds and… | May 10 2017 | ||||
9f7ce39f9fcb | Axel Kohlmeyer | correct some more omitted updates | May 10 2017 | ||||
29ae8d4ca3b9 | Axel Kohlmeyer | correct broken links and references in documentation | May 9 2017 | ||||
3f4aee1046ab | Axel Kohlmeyer | implement overlooked changes from 4may2017 patch | May 9 2017 | ||||
d0da0639f02b | Axel Kohlmeyer | add a couple of simple example single/multi-elment inputs for meam/spline pair… | May 9 2017 | ||||
390ceb1475a7 | Axel Kohlmeyer | whitespace cleanup | May 9 2017 | ||||
6c5edf6c709e | Axel Kohlmeyer | performance improvement through avoiding function call and dereference overhead | May 9 2017 | ||||
9cd994f57c70 | Axel Kohlmeyer | fix issues with potential file parser | May 9 2017 | ||||
a6e2d5b5f7fb | sjplimp/GitHub | Merge pull request #470 from lammps/integration | May 9 2017 | ||||
08ec55743e47 | Steve Plimpton | neighbor list bugfix to prevent cycle in copy lists | May 9 2017 | ||||
c4f90b384167 | sjplimp/GitHub | Merge pull request #449 from rbberger/python_refactoring | May 8 2017 | ||||
f8af7edf927b | Richard Berger | Merge remote-tracking branch 'upstream/master' into python_refactoring | May 6 2017 | ||||
a73402ad9311 | Steve Plimpton | update src/Purge.list with renamed reaxc src files | May 4 2017 | ||||
d7dbff0f5441 | Steve Plimpton | jive Kokkos/reaxc file names with new user-reaxc file names | May 4 2017 | ||||
42531389df27 | DallasTrinkle | Cleanup of style (removing all tabs, shortened long lines). | May 4 2017 | ||||
f7230006fef4 | DallasTrinkle | OpenMP version added. | May 4 2017 | ||||
754b40cb3100 | DallasTrinkle | Removed unused functions. | May 4 2017 | ||||
ffdc8b556d00 | DallasTrinkle | Cleanup. | May 4 2017 | ||||
5accce976a13 | DallasTrinkle | Cleanup. | May 4 2017 | ||||
349c1443a1c0 | DallasTrinkle | Cleanup. | May 4 2017 | ||||
2f71245d8277 | DallasTrinkle | Removed extra "helper" functions. | May 4 2017 | ||||
51c6d502687b | Steve Plimpton | patch 4May17 | May 4 2017 | ||||
6499cfcf52ae | sjplimp/GitHub | Merge pull request #458 from stanmoore1/kokkos_sync_bugfix | May 4 2017 | ||||
f08e2069917d | sjplimp/GitHub | Merge pull request #457 from stanmoore1/kokkos_ubuf | May 4 2017 | ||||
fbddfe2729a2 | sjplimp/GitHub | Merge pull request #455 from stanmoore1/kokkos_update | May 4 2017 | ||||
dcc5472cba99 | sjplimp/GitHub | Merge pull request #452 from akohlmey/small-fixes-and-updates | May 4 2017 | ||||
addd87c0f7a4 | Steve Plimpton | new Section package and start doc pages and build scripts | May 4 2017 | ||||
480727815a89 | DallasTrinkle | Starting to refactor in preparation to contruct OMP version. | May 4 2017 | ||||
45187a0fc77e | DallasTrinkle | Fix system header #include style. | May 4 2017 | ||||
7409c6d78132 | DallasTrinkle | Cleaned up atom->x and atom->f deferences. | May 3 2017 | ||||
11cb0212b7fa | DallasTrinkle | Cleanup: two space indent + no trailing spaces on lines. | May 3 2017 | ||||
7f49ee8fd747 | Axel Kohlmeyer | print warning about minimization energy with fix box/relax | May 3 2017 | ||||
f5cf1f1314b0 | sjplimp/GitHub | Merge pull request #464 from akohlmey/rename-cg-cmm-to-cgsdk | May 3 2017 | ||||
50c7234f2690 | DallasTrinkle | Fix to communication for mpi. Tested, and now working correctly with MPI. | May 2 2017 | ||||
f58fc9488f89 | DallasTrinkle | Fixed neighbor list building that caused error in parallel runs with… | May 2 2017 | ||||
408cc198854c | DallasTrinkle | Fix for seg fault. | May 2 2017 | ||||
c76d27373ecd | DallasTrinkle | Another fix for seg fault in parallel allocation. | May 2 2017 | ||||
fb08dc09f3b3 | DallasTrinkle | Small error in elements allocation causing seg. fault for parallel runs; fixed. | May 1 2017 | ||||
8bddf105bf7a | DallasTrinkle | Updated version of equations, documentation. | Apr 29 2017 | ||||
31446e35b9b4 | DallasTrinkle | Cleanup on equations; JPG to be constructed. | Apr 28 2017 | ||||
9bdc43bb66ee | DallasTrinkle | Updates to pair/meam/spline documentation. | Apr 28 2017 | ||||
a0b61d17b56a | DallasTrinkle | Updates to documentation: equation. | Apr 28 2017 | ||||
8cc844136709 | DallasTrinkle | Cleanup on pair_meam_spline.cpp | Apr 28 2017 | ||||
7d9670bc6c48 | DallasTrinkle | Addition of potential, code modifications to incorporate multicomponent spline… | Apr 28 2017 | ||||
b8cb80b219b8 | Axel Kohlmeyer | rename files in GPU library from cg_cmm to lj_sdk | Apr 27 2017 | ||||
cd435c0c58fe | Axel Kohlmeyer | change references from cg_cmm to lj_sdk and from cmm to sdk | Apr 27 2017 | ||||
548c589f82d3 | Axel Kohlmeyer | update the README for USER-CGSDK | Apr 27 2017 | ||||
5c7a63198832 | Axel Kohlmeyer | rename USER-CG-CMM folder to USER-CGSDK | Apr 27 2017 | ||||
af748745162c | Axel Kohlmeyer | rename references to USER-CG-CMM to USER-CGSDK | Apr 27 2017 | ||||
949d61e01eda | Axel Kohlmeyer | rename examples folder for USER-CGSDK package | Apr 27 2017 | ||||
3e60f79f1d62 | Axel Kohlmeyer | remove cg/cmm style name aliases | Apr 26 2017 | ||||
8f9cb3590a32 | Axel Kohlmeyer | correct units for some improper force constants in docs | Apr 26 2017 | ||||
0565b1df5f02 | Stan Moore | Fixing auto_sync logic bug in modify_kokkos | Apr 26 2017 | ||||
d73d70fa1fdd | Stan Moore | Adding ubuf union to Kokkos atom_vec styles | Apr 26 2017 | ||||
cc6104aeaf32 | Stan Moore | Merge branch 'master' into kokkos_update | Apr 25 2017 |
c4science · Help