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ccf81cea4e
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try harder to use ccache with TravisCI
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2016-03-21 22:30:11 -04:00 |
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855bec24e1
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avoid memory overrun in dump h5md
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2016-03-21 22:20:55 -04:00 |
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88ac0c3fe3
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remove unneeded class member
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2016-03-21 22:17:51 -04:00 |
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cfbbfe6fdd
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initialize structs with memset()
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2016-03-21 22:17:41 -04:00 |
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4b58079a08
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fix typo
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2016-03-21 22:02:54 -04:00 |
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2c3e0b69a0
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correct voro++ URL in another location
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2016-03-21 06:56:28 -04:00 |
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11f1ab658f
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improve test for numeric conversion, so it compiled with gcc 5.3
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2016-03-21 06:44:05 -04:00 |
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000da89b8c
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correct URL to voro++
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2016-03-21 06:43:05 -04:00 |
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b5d4c7f607
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crank up size of ccache's cache
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2016-03-19 23:50:14 -04:00 |
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64281d011d
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make fix reax/c/species compatible with rerun
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2016-03-19 22:32:31 -04:00 |
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c36bd07ff8
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avoid uninitialized stack variables
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2016-03-19 22:32:16 -04:00 |
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8bde015474
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plug two memory leaks in USER-REAXC
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2016-03-19 22:32:02 -04:00 |
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30d1e018e1
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fix cut-n-paste issue in fix pour
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2016-03-19 21:32:21 -04:00 |
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a594a1d670
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fix bug in fix pour due to bad comparison for floating point numbers
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2016-03-19 21:32:04 -04:00 |
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56372120b6
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
# Resolved Conflicts:
# src/KOKKOS/pair_lj_charmm_coul_charmm_kokkos.cpp
# src/lammps.cpp
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2016-03-19 06:16:01 -04:00 |
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042f50ac9c
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Christian's kokkos patch that allows concurrent host and device threading
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14752 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-18 14:50:28 +00:00 |
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87df1f2fe0
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Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps-icms
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2016-03-18 09:05:29 -04:00 |
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4cc482fd9b
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bugfix from lammps-users for processors command
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2016-03-18 08:58:35 -04:00 |
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1c203b4947
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reset and print ccache statistics for each build individually
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2016-03-17 19:09:19 -04:00 |
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233f1eb3b1
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simplify makefiles with fastdep enabled
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2016-03-17 18:30:05 -04:00 |
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bf3e84ae7e
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make .gitignore properly only ignore local copies of package files
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2016-03-17 08:57:55 -04:00 |
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e80137ece7
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more updates to .gitignore
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2016-03-16 12:12:06 -04:00 |
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0152ea9ad0
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we should use 64-bit memalign by default to be compatible with USER-INTEL
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2016-03-16 11:23:30 -04:00 |
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e9f21ef190
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forgot to allocate result vector
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2016-03-15 23:00:23 -04:00 |
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f659311ab9
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added a compute pe/mol/tally tallying evdwl/ecoul for inter/intra molecular pairs separately
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2016-03-15 22:39:32 -04:00 |
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037e91f77f
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updated documentation for inclusion of airebo/morse
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2016-03-15 17:27:37 -04:00 |
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d4f5612904
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pair style rebo/morse makes no sense. removed.
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2016-03-15 17:27:06 -04:00 |
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906ebc261e
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Integrate AIREBO-M by merging it into regular AIREBO and building wrapper classes
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2016-03-15 16:39:31 -04:00 |
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1a9f4dbcef
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prepare for merging in AIREBO-M code
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2016-03-15 14:37:51 -04:00 |
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21163ae28b
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it is bad practice to overwrite members from other classes, and not needed here anyway.
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2016-03-15 11:49:04 -04:00 |
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c874ec86df
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Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
# Resolved Conflicts:
# doc/Manual.txt
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2016-03-15 06:33:59 -04:00 |
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5d2a0214fa
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remove debug printf()s.
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2016-03-14 19:54:03 -04:00 |
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b760ca8038
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14750 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 19:11:28 +00:00 |
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a59445d4b7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14749 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 19:10:32 +00:00 |
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93e451b594
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14748 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 19:06:38 +00:00 |
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ec42f2530c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14747 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 18:46:42 +00:00 |
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ad3c57cb63
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14746 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 18:45:25 +00:00 |
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61c0608ffa
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14745 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 18:45:15 +00:00 |
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16b9206d98
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14744 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 18:44:45 +00:00 |
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92ef1cb060
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14743 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 18:44:13 +00:00 |
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2e3032723c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14742 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 18:41:57 +00:00 |
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66b282b36d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14741 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 18:41:39 +00:00 |
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e02c66b932
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14740 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-03-14 18:40:28 +00:00 |
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3aa052628c
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update ccache settings for TravisCI as described in docs
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2016-03-13 07:20:06 -04:00 |
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ef01d1b840
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correctly identify rigid and rigid/small derived fixes in compute */rigid
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2016-03-13 07:04:54 -04:00 |
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6eb1ade2f0
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add simple test for newly added compute bond command
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2016-03-12 20:31:55 -05:00 |
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b154a21d50
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add a compute bond that allows accessing per sub-style bond energies.
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2016-03-12 20:25:32 -05:00 |
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ca56f521f4
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adapt attribution to usual LAMMPS style
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2016-03-11 17:00:24 -05:00 |
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6be61b0803
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Merge branch 'merge-pull-38' into lammps-icms
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2016-03-11 16:56:33 -05:00 |
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c80fb4b8ea
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Merge branch 'pair-morse-smooth-linear-omp' of https://github.com/Pakketeretet2/lammps into merge-pull-38
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2016-03-11 16:54:43 -05:00 |
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