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Commit | Author | Details | Committed | ||||
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59dc83eadbde | Richard Berger | Fix resource leak | Aug 30 2016 | ||||
a2ea263652c6 | Axel Kohlmeyer | remove vector/array class members shadowing the base class | Aug 30 2016 | ||||
493613b49549 | Axel Kohlmeyer | avoid NaNs in MEAM | Aug 30 2016 | ||||
021ade199a31 | Axel Kohlmeyer | null-ing of pointers and a couple select integers for fix ave/chunk | Aug 30 2016 | ||||
b7749ab21285 | Axel Kohlmeyer | individual computes do not need to set vector/array to NULL. reordering fixes… | Aug 30 2016 | ||||
554ac7dd12b6 | Efrem Braun/Axel Kohlmeyer | Use MPI_Allreduce values instead of each processor's values | Aug 30 2016 | ||||
ef86d1172963 | Axel Kohlmeyer | Merge branch 'integration' into small-bugfixes | Aug 30 2016 | ||||
62b7b69a87b0 | Steve Plimpton | Merge branch 'init' into integration | Aug 30 2016 | ||||
1c1c9c310146 | Axel Kohlmeyer | use correct order when initializing arrays | Aug 29 2016 | ||||
48ba812f0ada | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in computes/fixes in MC package | Aug 29 2016 | ||||
f9a21ae65496 | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in computes/fixes in MANYBODY package | Aug 29 2016 | ||||
d6b9d0b9b6cd | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in fixes | Aug 29 2016 | ||||
36e085e393eb | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in fixes | Aug 29 2016 | ||||
425142ba2e73 | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in fixes | Aug 29 2016 | ||||
07eb1d443b27 | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in fixes | Aug 29 2016 | ||||
265cc14125e4 | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in fixes | Aug 29 2016 | ||||
fd05a1325ee1 | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in fixes | Aug 29 2016 | ||||
b5a562788bfa | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in fixes | Aug 29 2016 | ||||
2c7241bfe282 | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in fixes | Aug 29 2016 | ||||
ee2f6ded2990 | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in fixes | Aug 29 2016 | ||||
db077ef186c2 | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in fixes | Aug 29 2016 | ||||
fc5db8a737be | Axel Kohlmeyer | fix off-by one bug when looking for bonds. | Aug 28 2016 | ||||
56d0ab947412 | Axel Kohlmeyer | updated doc build readme for current Fedora and RHEL/CentOS | Aug 28 2016 | ||||
f8d6b979ec1a | Axel Kohlmeyer | Merge branch 'integration' into small-bugfixes | Aug 28 2016 | ||||
4e03df2d197b | Axel Kohlmeyer | Merge branch 'integration' into fix-flow-gauss | Aug 28 2016 | ||||
e1045851c035 | Axel Kohlmeyer | incorporate bugfix and cleanup from lammps-icms and upstream | Aug 28 2016 | ||||
f5a50c3cd1c8 | Richard Berger | Added documentation about -DLAMMPS_EXCEPTIONS flag | Aug 28 2016 | ||||
0192d2e35969 | sjplimp/GitHub | Merge pull request #5 from akohlmey/initialize-pointers | Aug 28 2016 | ||||
3a1397dc7c36 | Steve Plimpton | sync with SVN | Aug 28 2016 | ||||
bb721db8de40 | Axel Kohlmeyer | Merge branch 'integration' into fix-flow-gauss | Aug 28 2016 | ||||
0c2e643062ac | sjplimp/GitHub | Merge pull request #9 from rbberger/remove_sha1sum_dependency | Aug 28 2016 | ||||
ef69bf8695f3 | sjplimp/GitHub | Merge pull request #11 from akohlmey/python3-for-make-py | Aug 28 2016 | ||||
6a4633af0a1e | sjplimp/GitHub | Merge pull request #12 from akohlmey/shell-script-paranoia | Aug 28 2016 | ||||
c80dad002883 | Steve Plimpton | new fix flow/gauss command | Aug 28 2016 | ||||
1c13b30a7039 | Axel Kohlmeyer | small cleanup and generalization of fix flow/gauss | Aug 27 2016 | ||||
c570bf26e0d8 | Axel Kohlmeyer | enforce C or POSIX locale in all shell scripts and turn of enforced global grep… | Aug 27 2016 | ||||
742c853775bb | Axel Kohlmeyer | need to ignore src/Make.py.last as well | Aug 26 2016 | ||||
9932b7322702 | Axel Kohlmeyer | Merge branch 'integration' into python3-for-make-py | Aug 26 2016 | ||||
90272f6c711d | Axel Kohlmeyer | some more tweaks needed to improve python2/3 compatibility | Aug 26 2016 | ||||
8dd42789f8b9 | Axel Kohlmeyer | correct for futurize not being able to fully convert functionality of the… | Aug 26 2016 | ||||
a0592d1b6449 | Steve Plimpton | Merge branch 'gitignore-improvements' into integration | Aug 26 2016 | ||||
9be235d87258 | Axel Kohlmeyer | improved .gitignore files to show only changes in relevant folders and files | Aug 26 2016 | ||||
2beecd1e7351 | Steve Plimpton | removal of doc/html/_sources and minor sync with SVN | Aug 26 2016 | ||||
95aabdf51a96 | Richard Berger | Add MacOS X instructions to doc generation README | Aug 26 2016 | ||||
ea368919f3b5 | Richard Berger | Remove sha1sum dependency for doc generation | Aug 26 2016 | ||||
74516b571edf | Axel Kohlmeyer | port Make.py so it is compatible with python 2.7 *and* python 3.x | Aug 25 2016 | ||||
b06fa5670ab7 | Anders Hafreager/Axel Kohlmeyer | find functions in atom.cpp checks for id/name being NULL | Aug 25 2016 | ||||
a635c70a26b8 | Anders Hafreager/Axel Kohlmeyer | Fixed so we test for compute,fix and variable id's being NULL in find_ functions | Aug 25 2016 | ||||
b8e7f5301702 | Stefan Paquay/Axel Kohlmeyer | Small update for USER-MANIFOLD docs. | Aug 25 2016 | ||||
849cec34007f | Axel Kohlmeyer | fix memory leak in compute omega/chunk | Aug 25 2016 | ||||
a692398b6c3b | Axel Kohlmeyer | fix bug in reserving sufficient space for special atoms | Aug 25 2016 | ||||
ff541e9a8499 | Axel Kohlmeyer | fix typo in compute omega/chunk usage example | Aug 25 2016 | ||||
7d43f349e6d8 | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in computes | Aug 24 2016 | ||||
5e811f16e87d | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in computes | Aug 24 2016 | ||||
fcd54f02e6b7 | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in computes | Aug 24 2016 | ||||
1f3ef8e0ee5e | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in computes | Aug 24 2016 | ||||
3e793d6eb748 | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in computes | Aug 24 2016 | ||||
95dde5c04128 | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in computes | Aug 24 2016 | ||||
d09a85733bce | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in computes | Aug 24 2016 | ||||
0e7ce194eb7a | Anders Hafreager/Axel Kohlmeyer | Fixed initialization of arrays in computes | Aug 24 2016 | ||||
e5c37bc7cb8e | Richard Berger | Implemented optional C++ exceptions in Error class | Aug 24 2016 | ||||
e27196e91c96 | Steve Plimpton | doc files | Aug 24 2016 | ||||
268fdab71ba3 | Steve Plimpton | Merge branch 'small-bugfixes' into integration | Aug 23 2016 | ||||
8750515cc44d | Steve Plimpton | changed dump.cpp back to the way it was | Aug 23 2016 | ||||
270b07b03537 | Steve Plimpton | Merge branch 'integration' into small-bugfixes | Aug 23 2016 | ||||
abc5a32c8a4b | Steve Plimpton | gpu lib sync | Aug 23 2016 | ||||
0a3464eb30ee | Steve Plimpton | test | Aug 23 2016 | ||||
1ab3891caf0e | Axel Kohlmeyer | Merge branch 'merge-pull-153' into lammps-icms | Aug 23 2016 | ||||
55fe1f6b29cc | athomps | fixed integer division problem in python code snippet | Aug 23 2016 | ||||
50a82bb345d3 | Axel Kohlmeyer | address uninitialized variable issues pointed out by valgrind/coverity | Aug 22 2016 | ||||
5909bd54298e | Axel Kohlmeyer | correct bug in tracking atom->nlocal vs. atom->nmax when allocating pbc… | Aug 22 2016 | ||||
138368404844 | Axel Kohlmeyer | fix bug in recent dump changes for -DLAMMPS_BIGBIG | Aug 22 2016 | ||||
587bafdf2de5 | Richard Berger/Axel Kohlmeyer | Remove memory leak and unnecessary allocation | Aug 22 2016 | ||||
c8fe3799ed33 | Richard Berger/Axel Kohlmeyer | Add missing initialization | Aug 22 2016 | ||||
9babb7a4c2ae | Axel Kohlmeyer | fix indexing bugs in accessing compute and fix labels in fix ave/histo | Aug 22 2016 | ||||
c88e9b46cf97 | Axel Kohlmeyer | thread timing summare needs to be marked as preformatted | Aug 22 2016 | ||||
730e3cb4ac9d | Axel Kohlmeyer | correct small (but harmless) logic error. | Aug 22 2016 | ||||
2a6561e52af0 | Axel Kohlmeyer | add run 0 to USER-TALLY examples to enforce shake constraints on step 0 | Aug 22 2016 | ||||
2fff78a78eb2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15484 f3b2605a-c512-4ea7… | Aug 21 2016 | ||||
d4891754c862 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15483 f3b2605a-c512-4ea7… | Aug 21 2016 | ||||
ccf8cf20b378 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15482 f3b2605a-c512-4ea7… | Aug 21 2016 | ||||
6ccf4b452592 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15481 f3b2605a-c512-4ea7… | Aug 21 2016 | ||||
bfba361f65f2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15480 f3b2605a-c512-4ea7… | Aug 21 2016 | ||||
b1829c107cd0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15479 f3b2605a-c512-4ea7… | Aug 13 2016 | ||||
832f6a9f1125 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15475 f3b2605a-c512-4ea7… | Aug 13 2016 | ||||
650359087584 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15474 f3b2605a-c512-4ea7… | Aug 13 2016 | ||||
2c9eef57d06a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15473 f3b2605a-c512-4ea7… | Aug 13 2016 | ||||
c03252f08da0 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15471 f3b2605a-c512-4ea7… | Aug 12 2016 | ||||
ff933712b73f | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15470 f3b2605a-c512-4ea7… | Aug 12 2016 | ||||
112c98159b1c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15469 f3b2605a-c512-4ea7… | Aug 12 2016 | ||||
639ea6c39647 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15468 f3b2605a-c512-4ea7… | Aug 10 2016 | ||||
b3364ae94333 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15467 f3b2605a-c512-4ea7… | Aug 10 2016 | ||||
3349f7e14366 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15466 f3b2605a-c512-4ea7… | Aug 10 2016 | ||||
de2b6cf6bde1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15465 f3b2605a-c512-4ea7… | Aug 9 2016 | ||||
6c8d3ed4e849 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15463 f3b2605a-c512-4ea7… | Aug 9 2016 | ||||
550be1d5129e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15462 f3b2605a-c512-4ea7… | Aug 8 2016 | ||||
563e06997104 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15461 f3b2605a-c512-4ea7… | Aug 8 2016 | ||||
17e8e9a9c98d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15460 f3b2605a-c512-4ea7… | Aug 8 2016 | ||||
056ff192c619 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15459 f3b2605a-c512-4ea7… | Aug 8 2016 | ||||
0029040f1152 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15456 f3b2605a-c512-4ea7… | Aug 6 2016 |
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