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39c8a7de6e
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Updated kim_commands doc to descript kim_query split mode
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2019-07-09 07:35:50 -04:00 |
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1f47da6c51
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Add fixed_types to kim_init & split to kim_query
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2019-07-08 17:46:47 -05:00 |
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bb5a1c5205
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Adjust log.cite behavior
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2019-07-03 13:38:08 -05:00 |
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00d820dcf9
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Added support for log.cite to kim_init
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2019-07-03 13:20:55 -05:00 |
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63dcd999d8
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Switch to kim-api c-bindings for SimulatorModel
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2019-07-03 11:49:38 -05:00 |
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41e8cf3d69
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Merge branch 'master' into kim-simulator-models
# Conflicts:
# src/input.cpp
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2019-07-02 01:15:29 -04:00 |
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b727f0b126
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Merge pull request #1537 from akohlmey/refactor-input-file-handling
Refactor input file processing flow of control
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2019-07-01 17:28:15 -04:00 |
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63fa63fb1c
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Merge pull request #1538 from dsbolin/gran_mods
Bug fixes to pair granular
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2019-07-01 17:27:55 -04:00 |
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f7329c0f43
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Merge pull request #1540 from stanmoore1/kk_snap
Port Recent SNAP changes to Kokkos
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2019-07-01 17:27:34 -04:00 |
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559c187964
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Update SNA::memory_usage()
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2019-07-01 08:20:48 -06:00 |
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61a7730bb5
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Merge branch 'master' of github.com:lammps/lammps into kk_snap
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2019-07-01 08:14:30 -06:00 |
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a8d4ac74fa
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Remove temporary ulist variable
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2019-07-01 08:13:53 -06:00 |
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e91539d4b5
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Cleanup
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2019-07-01 08:11:49 -06:00 |
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62bddd47ee
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limit number of nested include file levels to 16
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2019-07-01 00:01:41 -04:00 |
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33d3bd7a8d
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Merge pull request #1547 from rbberger/docs_fix
Workaround to make formatting of code blocks consistent
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2019-06-30 17:15:25 -04:00 |
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8fdba2ded1
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Merge pull request #1546 from stanmoore1/kk_update
Update Kokkos library in LAMMPS to v2.9.00
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2019-06-30 17:15:06 -04:00 |
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a720aedabc
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Workaround to make formatting of code blocks consistent
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2019-06-28 20:54:10 -04:00 |
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ea2e73119d
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Update Kokkos library in LAMMPS to v2.9.00
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2019-06-28 11:23:24 -06:00 |
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5eabc82024
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Restore lost changes
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2019-06-28 10:17:22 -06:00 |
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d918432047
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Fix issue with compute_duarray
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2019-06-28 09:54:24 -06:00 |
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73968f10d5
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Merge branch 'kk_snap' of ssh://github.com/stanmoore1/lammps into kk_snap
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2019-06-28 09:44:36 -06:00 |
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400af0edac
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Merge branch 'master' of github.com:lammps/lammps into kk_snap
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2019-06-28 09:02:07 -06:00 |
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121947e79d
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Added hcp query example to kim_commands
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2019-06-27 12:52:20 -05:00 |
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1e2aeed2ac
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Remove no-op
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2019-06-27 08:53:58 -06:00 |
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60adaa24cb
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Remove redundant computation
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2019-06-27 08:52:34 -06:00 |
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312a1fa004
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Added species to kim_queries in docs and some other edits
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2019-06-27 07:58:32 -05:00 |
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7f342b1cd0
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Merge pull request #1539 from junghans/fix_include_for_ppc64le
add missing include needed on ppc64le
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2019-06-27 00:26:33 -04:00 |
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2be0fd6180
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Fix GPU issues
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2019-06-26 16:22:37 -06:00 |
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8c3d18520d
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add missing include needed on ppc64le
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2019-06-26 10:45:31 -06:00 |
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f1dfcaf514
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WIP
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2019-06-25 14:47:21 -06:00 |
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f6319146b0
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Update kim_query to new interface
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2019-06-25 15:03:24 -05:00 |
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e08146c31f
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Allow twisting torque to be used without rolling torque in pair granular
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2019-06-25 12:06:18 -06:00 |
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8fd1aaba7e
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Merge pull request #1535 from evoyiatzis/class2
Implementation of inner/middle/outer compute methods for lj/class2/coul/long
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2019-06-25 06:00:06 -04:00 |
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50e76ff7a1
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restore virtual keyword and empty lines in comments
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2019-06-25 05:59:29 -04:00 |
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423eebda25
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restore header
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2019-06-25 05:57:48 -04:00 |
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f6842e643e
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Merge pull request #1525 from akohlmey/collected-small-changes
Collected small changes and fixes for the next patch
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2019-06-24 23:55:50 -04:00 |
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5f7c4fb668
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Merge pull request #1534 from uihsnv/archlinux_pkg
Archlinux install documentation
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2019-06-24 23:55:09 -04:00 |
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483353a017
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Merge remote-tracking branch 'lammps/master' into kim-simulator-models
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2019-06-24 15:35:06 -05:00 |
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86d878a7eb
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Updated language on availability of ADP potentials in OpenKIM
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2019-06-24 15:26:41 -05:00 |
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4284a4fac4
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Changed me to me_si and fixed some typos in comments
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2019-06-24 14:51:35 -05:00 |
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b653536750
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Switched pair_style kim doc to "KIM Portable Model" terminology
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2019-06-24 14:38:44 -05:00 |
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1047d8f80e
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Change of terminology to "KIM Portable Model" and streamlining
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2019-06-24 14:32:40 -05:00 |
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c8a2f61c16
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Merge branch 'kim-simulator-models' of github.com:ellio167/lammps into kim-simulator-models
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2019-06-24 13:55:22 -05:00 |
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0ddcc023a5
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Improvements and additions to kim_commands doc
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2019-06-24 13:54:55 -05:00 |
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f2380a24ef
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fix parallel processing input include bug
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2019-06-24 14:27:05 -04:00 |
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13237155c8
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make processing of Input::file(const char* filename) more like processing an include file
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2019-06-24 14:24:54 -04:00 |
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7f26862f98
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simplify nested include file handling
# Conflicts:
# src/input.h
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2019-06-24 14:16:51 -04:00 |
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826a14f54a
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add workaround for handline include files
# Conflicts:
# src/input.h
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2019-06-24 14:16:00 -04:00 |
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7afcfccf48
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follow convention to list all commands in a file as header
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2019-06-24 13:51:41 -04:00 |
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a36d2573cf
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make certain, we are not mixing cutoff and long-range coulomb when looking cutoffs
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2019-06-24 09:10:00 -04:00 |
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