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f25f7fee8d
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Only count new words
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2020-06-11 13:56:47 -04:00 |
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6a9073a0cb
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Add count_words for C-Strings
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2020-06-11 13:50:26 -04:00 |
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645d3b61ba
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Only count new words
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2020-06-11 13:49:58 -04:00 |
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6cb5345cd0
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Add optimized version of count_words for default whitespace chars
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2020-06-11 13:37:22 -04:00 |
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505cc1036f
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refactor KIM package code for using {fmt} and std::string
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2020-06-11 13:25:41 -04:00 |
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61d0592e6a
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Fix compile error with pair_sw_kokkos
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2020-06-11 11:13:36 -06:00 |
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558b9201ac
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Fix typo
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2020-06-11 12:37:44 -04:00 |
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e9a52a2b1b
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More doc updates
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2020-06-11 12:30:02 -04:00 |
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b299601a41
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Update fix_wall_gran docs
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2020-06-11 12:22:55 -04:00 |
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ff35f421ac
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Don't store atom tag, just if there is a contact
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2020-06-11 11:35:27 -04:00 |
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7ace10238d
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change interface to Input::write_echo() to accept const std::string
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2020-06-11 10:23:44 -04:00 |
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9945f73743
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fix spelling in a few more files
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2020-06-11 01:05:58 -04:00 |
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81d937ee97
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Performance optimization of Tokenizer
Reduces string allocations and removes std::vector from Tokenizer
Most processing now happens on-demand.
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2020-06-11 00:22:04 -04:00 |
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b287651ed6
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fix a bug with checking too early for ineligibilty for biasing
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2020-06-10 16:56:52 -06:00 |
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e4d1068c70
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flag a couple fixes and their derived clases as incompatible with resetting atom IDs
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2020-06-10 16:47:55 -06:00 |
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d02363b8fb
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adding a reset_ids sort option
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2020-06-10 16:33:05 -06:00 |
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4db9576aac
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Fixed small multielement and not alloyflag bug
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2020-06-10 15:17:45 -07:00 |
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5a200b34fb
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Updated chem_snap kokkos cuda kernel
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2020-06-10 14:27:49 -07:00 |
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64a4e5e21a
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make kokkos configuration keywords in traditional build case insensitive
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2020-06-10 15:53:09 -04:00 |
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6f78dd688a
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Minor doc changes & rename store_contacts to contacts
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2020-06-10 15:52:47 -04:00 |
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71d3827cce
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Merge pull request #2140 from stanmoore1/kk_depend
Add missing Kokkos dependency
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2020-06-10 15:50:10 -04:00 |
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c3d5e46f9a
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one more permission fix
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2020-06-10 13:48:25 -04:00 |
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8a71d760f2
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fixup permission on doc file
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2020-06-10 13:41:57 -04:00 |
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4c3a13873e
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{fmt}: don't use [[gnu::fallthrough]] on intel compilers
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2020-06-10 13:37:30 -04:00 |
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404516060d
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Add missing Kokkos dependency
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2020-06-10 10:49:41 -06:00 |
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1a1cc99144
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use correct expression for source folder. small output tweak.
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2020-06-10 12:41:20 -04:00 |
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6891fa2610
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update a few URLs to use https: instead of http:
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2020-06-10 12:34:09 -04:00 |
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f36a84bdd3
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add CMake support for fetching external potential files
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2020-06-10 12:29:48 -04:00 |
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20a9794b92
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fix permissions
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2020-06-10 11:26:08 -04:00 |
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72ce9dfacb
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add feature to transparently fetch external potential files when a package is installed
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2020-06-10 11:25:59 -04:00 |
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d436550d63
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remove too big C_10_10.mesocnt potential
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2020-06-10 09:56:47 -04:00 |
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59353513e0
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move date
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2020-06-09 19:02:27 -04:00 |
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0b7f58e674
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Merge pull request #2137 from jtclemm/ptemp
Adding new ptemp keyword to fix/nh
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2020-06-09 19:01:30 -04:00 |
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62045cfb10
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Merge branch 'master' into chem_snap
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2020-06-09 14:30:55 -07:00 |
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2f5a8d0937
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remove trailing whitespace
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2020-06-09 17:28:26 -04:00 |
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0143234329
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Merge branch 'chem_snap' of https://github.com/charlessievers/lammps into chem_snap
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2020-06-09 14:28:03 -07:00 |
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4e5da1c92e
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Chem SNAP KOKKOS implementation draft
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2020-06-09 14:27:01 -07:00 |
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3ea39f5a23
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Update fix_nh.rst
Removed mbox commands
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2020-06-09 14:58:25 -06:00 |
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833ebeb0a0
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remove \mbox{} macros which are incompatible with make pdf
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2020-06-09 16:42:26 -04:00 |
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c3831f8971
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Merge pull request #2126 from vmohles/add-ECO-DF
Add fix orient/eco to USER-MISC
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2020-06-09 16:41:07 -04:00 |
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32984cb8c4
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add reference to LAMMPS slack
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2020-06-09 16:06:47 -04:00 |
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1221906ed9
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fix whitespace issues
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2020-06-09 15:14:49 -04:00 |
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ecc142229d
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update outputs again
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2020-06-09 15:09:45 -04:00 |
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fa07f64b81
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add missing linefeed
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2020-06-09 15:06:13 -04:00 |
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999ed36e6a
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update log files for new version
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2020-06-09 15:04:53 -04:00 |
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bb5b931d78
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Merge remote-tracking branch 'github/master' into add-ECO-DF
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2020-06-09 14:55:40 -04:00 |
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89fb194f51
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update to fix orient/eco from the authors
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2020-06-09 14:55:31 -04:00 |
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719936580a
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Merge pull request #2135 from akohlmey/cmake-legacy-gpu-conflict
Handle conflict between conventional build and CMake build in lib/gpu
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2020-06-09 14:26:42 -04:00 |
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4c6c4ac405
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Update fix_nh.rst
Adding linebreaks for legibility
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2020-06-09 12:20:21 -06:00 |
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c2b557233e
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Update value parsing in Molecule
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2020-06-09 12:12:52 -04:00 |
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