lammps/srcmaster
lammps/src
master
History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
21777f52604f | Axel Kohlmeyer | permissions cleanup | Sep 16 2016 | |||
0197738285ae | Axel Kohlmeyer | Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… | Sep 16 2016 | |||
1ba7f726cce2 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 16 2016 | |||
e14eab610e78 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15582 f3b2605a-c512-4ea7… | Sep 15 2016 | |||
e30420fc464f | 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 | |||
db1e17197fcf | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 15 2016 | |||
b23e9f0d548e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15579 f3b2605a-c512-4ea7… | Sep 14 2016 | |||
0f6d21acda7b | sjplimp | sync with Git | Sep 14 2016 | |||
3b4412d782ef | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 14 2016 | |||
b3fa20718f0c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15572 f3b2605a-c512-4ea7… | Sep 14 2016 | |||
babaa839b0c2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15570 f3b2605a-c512-4ea7… | Sep 14 2016 | |||
9f3118341a30 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15569 f3b2605a-c512-4ea7… | Sep 13 2016 | |||
423052134b98 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15567 f3b2605a-c512-4ea7… | Sep 13 2016 | |||
a2b4a794d9a2 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 13 2016 | |||
d913f5e09409 | stamoor | Fixing Kokkos bugs | Sep 12 2016 | |||
38356949ba42 | Efrem Braun | Moved test for ghost atom velocities to the ::init() method | Sep 12 2016 | |||
7d70a5982721 | Efrem Braun | Only check for comm_modify vel yes if need be | Sep 12 2016 | |||
f96ef7c45ec1 | Efrem Braun | Changed back stxcmp to strcmp | Sep 12 2016 | |||
f99296e7488e | Efrem Braun | Removed unused variable | Sep 12 2016 | |||
780c13bc3ce7 | Efrem Braun | Made error message if not comm_modify vel yes | Sep 12 2016 | |||
d3239a3bdc65 | Efrem Braun | Added comments for legibility purposes | Sep 12 2016 | |||
dcc6a175c8a0 | Efrem Braun | Made calculation of bond kinetic energies simpler, and replaced calculation of… | Sep 12 2016 | |||
fe49cbe4cc1f | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 11 2016 | |||
a8d7ca367de4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15564 f3b2605a-c512-4ea7… | Sep 10 2016 | |||
2b53f8039216 | Axel Kohlmeyer | require an atom map for compute voronoi/atom occupation | Sep 9 2016 | |||
ed7d2d42252f | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 9 2016 | |||
ad2ccf6f2725 | Axel Kohlmeyer | implement vashishta/table/omp in USER-OMP | Sep 8 2016 | |||
d2a02eaa56b7 | Axel Kohlmeyer | ignore all variants of the vashishta pair styles in src/ | Sep 8 2016 | |||
a46098c89982 | Steve Plimpton/Axel Kohlmeyer | undo changes to vashishita/omp | Sep 8 2016 | |||
4353fe8d91ce | Axel Kohlmeyer | created vashishta/table variant | Sep 8 2016 | |||
1dd7a13d8233 | sjplimp | sync with GH | Sep 8 2016 | |||
b190abea390e | sjplimp | sync with GH | Sep 8 2016 | |||
39338865845a | Axel Kohlmeyer | delete duplicate fclose() in fix ttm/mod constructor | Sep 8 2016 | |||
f8e659f44be7 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 8 2016 | |||
06b7d56e168f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15560 f3b2605a-c512-4ea7… | Sep 7 2016 | |||
ee4a1f0452ce | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15559 f3b2605a-c512-4ea7… | Sep 7 2016 | |||
d3694613fd91 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15558 f3b2605a-c512-4ea7… | Sep 7 2016 | |||
b0940dec80b5 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 7 2016 | |||
ea9bcda82ebf | Axel Kohlmeyer | revert changes to group.cpp and compute_omega_chunk.cpp to accommodate changes… | Sep 7 2016 | |||
bf0c18a0f238 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15557 f3b2605a-c512-4ea7… | Sep 7 2016 | |||
f67a9722eaf7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15554 f3b2605a-c512-4ea7… | Sep 7 2016 | |||
83f139642eb6 | stamoor | Reverting optimizations that hurt performance on some compilers | Sep 7 2016 | |||
74d0bc4df6f6 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15548 f3b2605a-c512-4ea7… | Sep 7 2016 | |||
56945a56aabe | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15547 f3b2605a-c512-4ea7… | Sep 6 2016 | |||
9625b99ba7a0 | Axel Kohlmeyer | Merge branch 'lammps-icms' of https://github.com/efremdan1/lammps into merge… | Sep 6 2016 | |||
1ce11d2227f0 | Efrem Braun | Made documentation and code of last commit more legible | Sep 6 2016 | |||
626ae8d85cb9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15544 f3b2605a-c512-4ea7… | Sep 6 2016 | |||
4282107e5d91 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15543 f3b2605a-c512-4ea7… | Sep 6 2016 | |||
688b1f1efc46 | stamoor | Fixing bug in Kokkos ReaxFF | Sep 6 2016 | |||
245c70e91686 | Efrem Braun | added in option to compute_bond_local to calculate bond velocities and kinetic… | Sep 5 2016 | |||
76e063887acf | Tim Mattox | Fix a bug introduced in commit 2af907a. Thanks to efremdan1 for finding it. | Sep 5 2016 | |||
83986c9d1aec | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 3 2016 | |||
fc80281fd990 | stamoor | Fixing bugs in per-atom | Sep 3 2016 | |||
222e9de4c889 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 2 2016 | |||
519a3ee242d4 | stamoor | Adding Kokkos version of PPPM | Sep 1 2016 | |||
b4785cd03877 | stamoor | Adding Kokkos version of PPPM | Sep 1 2016 | |||
1c54dc77ea6c | Axel Kohlmeyer | simplify phonon code some more | Sep 1 2016 | |||
35759133792a | Axel Kohlmeyer | simplify code | Sep 1 2016 | |||
214494477854 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Sep 1 2016 | |||
fab2f01a5844 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15531 f3b2605a-c512-4ea7… | Sep 1 2016 | |||
ae458497bfd3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15530 f3b2605a-c512-4ea7… | Aug 31 2016 | |||
93c6c26b8396 | sjplimp | sync with Git | Aug 31 2016 | |||
083ff54c0c51 | sjplimp | small bug fixes | Aug 31 2016 | |||
e3d0a322729e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15526 f3b2605a-c512-4ea7… | Aug 31 2016 | |||
9d8027c90008 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15524 f3b2605a-c512-4ea7… | Aug 31 2016 | |||
a236af80eab5 | Axel Kohlmeyer | Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… | Aug 31 2016 | |||
35c23a19612c | Axel Kohlmeyer | restore pointer NULLifying for fix balance | Aug 31 2016 | |||
ccb3c31b0e2a | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 31 2016 | |||
76acb8caf15f | stamoor | Fixing Kokkos memory issue | Aug 31 2016 | |||
2af907a10d94 | Axel Kohlmeyer | change angular velocity computation for groups/chunks to handle (near) zero… | Aug 30 2016 | |||
7875009218a7 | Axel Kohlmeyer | fix typo in comments | Aug 30 2016 | |||
ba444a4c6bff | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15522 f3b2605a-c512-4ea7… | Aug 30 2016 | |||
617e88162625 | Axel Kohlmeyer | Merge branch 'merge-pull-166' into lammps-icms | Aug 30 2016 | |||
fd3da81ee60c | Axel Kohlmeyer | must not initialize base class members | Aug 30 2016 | |||
4dcd24d86741 | Axel Kohlmeyer | Merge branch 'lammps-icms' of https://github.com/efremdan1/lammps into merge… | Aug 30 2016 | |||
c89cdb1adc4a | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 30 2016 | |||
958e3e6a80e7 | sjplimp | sync with Git | Aug 30 2016 | |||
2993aec312a7 | sjplimp | sync with Git | Aug 30 2016 | |||
f30232b41ed2 | Efrem Braun | Use MPI_Allreduce values instead of each processor's values | Aug 29 2016 | |||
dec122780c76 | Axel Kohlmeyer | use correct order when initializing arrays | Aug 29 2016 | |||
bb234349ec86 | Axel Kohlmeyer | Merge branch 'initialize_pointers' of https://github.com/andeplane/lammps into… | Aug 29 2016 | |||
24392261e37f | Axel Kohlmeyer | fix off-by one bug when looking for bonds. | Aug 28 2016 | |||
dd3b0bfffd0e | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 28 2016 | |||
4a7d389f42a4 | Axel Kohlmeyer | optimize twobody term by passing a const reference instead of a pointer | Aug 28 2016 | |||
3ca518703c83 | Axel Kohlmeyer | updated and slightly refactored tabulation for vashishta pair style | Aug 28 2016 | |||
67ded259f270 | Axel Kohlmeyer | Merge branch 'optimized_vashishta' of https://github.com/andeplane/lammps into… | Aug 28 2016 | |||
236241b10085 | sjplimp | sync with Git | Aug 28 2016 | |||
0ec104088fe6 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15513 f3b2605a-c512-4ea7… | Aug 28 2016 | |||
4f49acf90303 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15511 f3b2605a-c512-4ea7… | Aug 28 2016 | |||
18d05e04a206 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15509 f3b2605a-c512-4ea7… | Aug 28 2016 | |||
90e6032f973d | sjplimp | new fix flow/gauss command | Aug 28 2016 | |||
e017b3389839 | Axel Kohlmeyer | small cleanup and generalization of fix flow/gauss | Aug 27 2016 | |||
442fedb2a5fe | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 27 2016 | |||
84d0bed33b56 | Axel Kohlmeyer | enforce C or POSIX locale in all shell scripts and turn of enforced global grep… | Aug 27 2016 | |||
b6a677ad7c08 | Axel Kohlmeyer | fix bugs in the automated python 3 compatibility conversion | Aug 27 2016 | |||
646d5bb1b9aa | athomps | Added check for undefined hbonds | Aug 26 2016 | |||
5348c1c70fe7 | stamoor | Adding Kokkos warning | Aug 26 2016 | |||
0092be084785 | Axel Kohlmeyer | update .gitignore for most recent changes | Aug 26 2016 |
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