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History Graph
Commit | Author | Details | Committed | ||||
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39cec5cc191e | Axel Kohlmeyer | Update documentation for tabulation in vashista pair style | 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 | ||||
e017b3389839 | Axel Kohlmeyer | small cleanup and generalization of fix flow/gauss | Aug 27 2016 | ||||
de3e324f7e40 | Axel Kohlmeyer | change default to verbose for pending-pulls.py script | Aug 27 2016 | ||||
79de549da521 | Axel Kohlmeyer | ignore byte compiled python files | 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 | ||||
485a86b4bb46 | Axel Kohlmeyer | add python script allowing steve to poll and process pending pull requests from… | 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 | ||||
56628fe2b643 | stamoor | Adding Kokkos warning | Aug 26 2016 | ||||
8a7fecbd9122 | stamoor | Cleaning up code | Aug 26 2016 | ||||
cc4b2dd6ede6 | stamoor | Changing default | Aug 26 2016 | ||||
33661364938f | stamoor | Fixing Kokkos memory issue | Aug 26 2016 | ||||
1ccda0261e9b | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 26 2016 | ||||
1825f12c2931 | Axel Kohlmeyer | address issues detected by coverity scan | Aug 26 2016 | ||||
b2470fd80dea | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15501 f3b2605a-c512-4ea7… | Aug 25 2016 | ||||
484e726c78fa | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15500 f3b2605a-c512-4ea7… | Aug 25 2016 | ||||
67958a8bfa19 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15499 f3b2605a-c512-4ea7… | Aug 25 2016 | ||||
bfb01b84e6a6 | stamoor | Fixing compiler warning | Aug 25 2016 | ||||
e96ac8eb5996 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15497 f3b2605a-c512-4ea7… | Aug 25 2016 | ||||
bcb85aed6c27 | Axel Kohlmeyer | remove vector/array declarating in compute styles that shadow compute.h members | Aug 25 2016 | ||||
6571ee32dc09 | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 25 2016 | ||||
e9694ed4f160 | Axel Kohlmeyer | Merge branch 'merge-pull-161' into lammps-icms | Aug 25 2016 | ||||
6a21d62c3ff9 | Axel Kohlmeyer | Merge branch 'find_with_null' of https://github.com/andeplane/lammps into merge… | Aug 25 2016 | ||||
f7e741f34439 | Anders Hafreager | find functions in atom.cpp checks for id/name being NULL | Aug 25 2016 | ||||
b76dc86f05d1 | Axel Kohlmeyer | Merge branch 'find_with_null' of https://github.com/andeplane/lammps into merge… | Aug 25 2016 | ||||
12e1857e3046 | Anders Hafreager | Fixed so we test for compute,fix and variable id's being NULL in find_ functions | Aug 25 2016 | ||||
99b93fa62c46 | Axel Kohlmeyer | remove dependency on python-future module and avoid clashes with str() | Aug 25 2016 | ||||
8fa75760e419 | Axel Kohlmeyer | Merge branch 'update-doc-user-manifold' of https://github. | Aug 25 2016 | ||||
c71ffcfcc0e6 | Axel Kohlmeyer | fix typo in compute omega/chunk usage example | Aug 25 2016 | ||||
224c43709519 | Axel Kohlmeyer | fix bug in reserving sufficient space for special atoms | Aug 25 2016 | ||||
d71565b77bb3 | Axel Kohlmeyer | silence warnings about order of pointers in the initializer | Aug 25 2016 | ||||
4b0bef97187c | Axel Kohlmeyer | Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… | Aug 25 2016 | ||||
24ba7a646ab1 | Axel Kohlmeyer | Merge branch 'merge-pull-158' into lammps-icms | Aug 25 2016 | ||||
e8d034250370 | Axel Kohlmeyer | fix memory leak in compute omega/chunk | Aug 25 2016 | ||||
998fa338f1cb | Axel Kohlmeyer | Merge branch 'merge-pull-140' into lammps-icms | Aug 25 2016 | ||||
be732e60989f | Axel Kohlmeyer | simplify fix bond/create code a little more | Aug 24 2016 | ||||
29d04c1fbbf7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15496 f3b2605a-c512-4ea7… | Aug 24 2016 | ||||
a411023a7566 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15495 f3b2605a-c512-4ea7… | Aug 24 2016 | ||||
c3ddb9eae91c | aaramoon | merged, small bugs fixed | Aug 24 2016 | ||||
5d993cfe7438 | Anders Hafreager | Fixed initialization of arrays in computes | Aug 24 2016 | ||||
4e27bb8fdbb4 | Anders Hafreager | Fixed initialization of arrays in computes | Aug 24 2016 | ||||
0d79f840acf2 | aaramoon | Merge branch 'akohlmey-merge-pull-140' into fix_bond_create_update | Aug 24 2016 | ||||
ceb4ba09196e | aaramoon | Merge branch 'merge-pull-140' of https://github.com/akohlmey/lammps into… | Aug 24 2016 | ||||
5392cfa2d92f | Anders Hafreager | Fixed initialization of arrays in computes | Aug 24 2016 | ||||
6bdbb21eb7b7 | Anders Hafreager | Fixed initialization of arrays in computes | Aug 24 2016 | ||||
8c674019a5b8 | Anders Hafreager | Fixed initialization of arrays in computes | Aug 24 2016 | ||||
0ef26d0ca003 | Anders Hafreager | Fixed initialization of arrays in computes | Aug 24 2016 | ||||
3830b3c810c1 | Anders Hafreager | Fixed initialization of arrays in computes | Aug 24 2016 | ||||
a57436037257 | Anders Hafreager | Fixed initialization of arrays in computes | Aug 24 2016 | ||||
958293f640a4 | aaramoon | memory leak fixed | Aug 24 2016 | ||||
d188bdbd8610 | Stefan Paquay | Small update for USER-MANIFOLD docs. | Aug 24 2016 | ||||
57fb84393a7a | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 24 2016 | ||||
93b8d00a5946 | Axel Kohlmeyer | significant refactoring of argument parsing and checking in fix bond/create | Aug 24 2016 | ||||
6621d0239b12 | aminaramoon/GitHub | Merge pull request #1 from akohlmey/merge-pull-140 | Aug 24 2016 | ||||
647ffab74fc7 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15493 f3b2605a-c512-4ea7… | Aug 24 2016 | ||||
662335db13fd | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15492 f3b2605a-c512-4ea7… | Aug 24 2016 | ||||
1e1f68c30d4b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15491 f3b2605a-c512-4ea7… | Aug 24 2016 | ||||
8465b417f6b9 | Axel Kohlmeyer | remove xxxdynflag. we will check on pointers being valid instead. | Aug 24 2016 | ||||
f4a89d56fcf9 | Axel Kohlmeyer | refactoring of TypeDetector class | Aug 24 2016 | ||||
bc0864e2d3be | Axel Kohlmeyer | add new test stringstyle() for identify variable styles that return stored… | Aug 24 2016 | ||||
7646321bfb74 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15490 f3b2605a-c512-4ea7… | Aug 24 2016 | ||||
7bf1d9b40fe1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15489 f3b2605a-c512-4ea7… | Aug 24 2016 | ||||
bddb31ea43d0 | Axel Kohlmeyer | various small cleanup steps to dynamic type selection for… | Aug 23 2016 | ||||
62eeed768bde | Axel Kohlmeyer | Merge branch 'fix_bond_create_update' of https://github.com/aminaramoon/lammps… | Aug 23 2016 | ||||
49597fa96025 | aaramoon | memory leak resolved | Aug 23 2016 | ||||
bd258d676807 | Axel Kohlmeyer | silence compiler warning | Aug 23 2016 | ||||
75929ee01b7c | Axel Kohlmeyer | Merge branch 'merge-pull-153' into lammps-icms | Aug 23 2016 | ||||
9f1759481b3c | Axel Kohlmeyer | correct include files format and add missing string.h | Aug 23 2016 | ||||
d08e79702603 | Axel Kohlmeyer | Merge branch 'add-fix-gaussFlow' of https://github.com/sstrong99/lammps into… | Aug 23 2016 | ||||
c1a6d2ec30dc | Steven Strong | revised fix_flow_gauss | Aug 23 2016 | ||||
6c927a419da4 | Steven Strong | revised fix_flow_gauss | Aug 23 2016 | ||||
690158939564 | Steven Strong | revised fix_flow_gauss | Aug 23 2016 | ||||
d007faca515f | stamoor | Fixing Kokkos output for number of OpenMP threads | Aug 23 2016 | ||||
36bc96ea6112 | Steven Strong | revised fix_flow_gauss | Aug 23 2016 | ||||
5a5a10c75ff5 | Steven Strong | revised fix_flow_gauss | Aug 23 2016 | ||||
89fc866ba7a4 | stamoor | Fixing bug on Macs | Aug 23 2016 | ||||
06996d7782d9 | Steven Strong | revised fix_flow_gauss | Aug 23 2016 | ||||
2e7404c96c42 | Steven Strong | revised fix_flow_gauss | Aug 23 2016 | ||||
3309e9d3baf9 | Steven Strong | revised fix_flow_gauss | Aug 23 2016 | ||||
5798ba9e57e1 | aaramoon | doc revisited | Aug 23 2016 | ||||
a2e882daa290 | aaramoon | enum added in type detector | Aug 23 2016 | ||||
d1ba974fa8ee | aaramoon | correction made | Aug 23 2016 | ||||
c90f3a800fba | Axel Kohlmeyer | Merge remote-tracking branch 'lammps-ro/master' into lammps-icms | Aug 23 2016 | ||||
c67326be6d93 | Axel Kohlmeyer | update colvars library to version 2016-08-19 | Aug 23 2016 | ||||
29ae1bbca86a | Axel Kohlmeyer | minor cleanup and compiler warning silencing | Aug 23 2016 | ||||
bbf1dcd9db24 | Axel Kohlmeyer | Merge branch 'initialize_pointers' of https://github.com/andeplane/lammps into… | Aug 23 2016 | ||||
55fe1f6b29cc | athomps | fixed integer division problem in python code snippet | Aug 23 2016 | ||||
95755ba8b2e9 | Steven Strong | Added fix_gaussflow | Aug 22 2016 | ||||
f83f88d736d7 | Axel Kohlmeyer | restore accidentally deleted error message. | Aug 22 2016 | ||||
68c4a8c2f1cf | Anders Hafreager | Removed if tests in destructor. Also NULLing pointers in destructors | Aug 22 2016 | ||||
ae2bfec83d97 | Anders Hafreager | Initialize pointers to zero before anything else in fix_ave_chunk.cpp | Aug 22 2016 | ||||
97ffbb68fd89 | Anders Hafreager | Added curly brackets and spaces for better code readability | Aug 22 2016 | ||||
001c559a261b | Anders Hafreager | Fixed so tabulated pair_vashishta uses same pair_modify command style as other… | Aug 22 2016 | ||||
45a2dd36d0f0 | Axel Kohlmeyer | correct bug in tracking atom->nlocal vs. atom->nmax when allocating pbc… | Aug 21 2016 |
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