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842fe150eb
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update coul/slater docs to align with recent changes in upstream
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2020-03-18 21:07:57 -04:00 |
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7ee63a0025
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small spelling update
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2020-03-18 21:02:40 -04:00 |
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2714fad178
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Merge branch 'master' into collected-small-changes
# Conflicts:
# doc/src/Build_development.rst
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2020-03-18 20:59:16 -04:00 |
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164bf1b60e
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Merge pull request #1883 from evoyiatzis/master
Coulomb pair style with smeared out charges (coul/slater)
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2020-03-18 20:52:47 -04:00 |
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2b39c9968f
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Merge pull request #1913 from jrgissing/molecule_template_moleculeIDs
Molecule template: molecule-IDs and fragments
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2020-03-18 20:31:29 -04:00 |
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3e36acc533
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Merge branch 'master' into restart-consistency
# Conflicts:
# doc/src/fix_halt.rst
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2020-03-18 20:30:00 -04:00 |
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d1388b4ea8
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Merge pull request #1941 from e-kwsm/typo
Fix typos in comments and output.
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2020-03-18 20:24:06 -04:00 |
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986e5b746e
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new doc edits for refactored AtomVec styles
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2020-03-18 16:40:29 -06:00 |
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2cefddb16c
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avoid spelling errors
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2020-03-18 17:16:47 -04:00 |
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b903cc6dc7
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remove excessive details about how to compile with cmake. refer to cmake docs.
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2020-03-18 17:12:36 -04:00 |
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460dd662e4
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next chunk of converted atc doc files
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2020-03-18 11:39:53 -04:00 |
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ca1e1e2dff
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Convert British spelling to American
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2020-03-18 23:09:23 +09:00 |
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1db2538239
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use "command" instead of "cmd"
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2020-03-18 07:02:49 -04:00 |
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280d5cc6ae
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replace "xxxn't" with "xxx not"
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2020-03-18 07:02:34 -04:00 |
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38b1bf9ba5
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add links to ctypes, ipython, and jupyter
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2020-03-18 07:01:06 -04:00 |
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5992bd24e7
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some more converted atc fix_modify docs
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2020-03-18 06:29:17 -04:00 |
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d7cade9d46
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Merge branch 'master' into molecule_template_moleculeIDs
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2020-03-17 23:08:00 -06:00 |
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d8a948d9b7
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correct spelling
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2020-03-17 21:13:03 -04:00 |
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4a5125f450
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make behavior of CMAKE_TUNE_FLAGS more consistent and allow to turn it off
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2020-03-17 19:16:02 -04:00 |
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f1e03aefc6
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updating the pair potential docs, adding reference to OpenKIM
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2020-03-17 16:07:22 -05:00 |
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6f6855e831
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do not advertise multiple targets in cmbuild wrapper
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2020-03-17 15:57:33 -04:00 |
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f893f4f8c7
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set host specific optimizations in CMAKE_TUNE_FLAGS, so they can be conveniently overridden
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2020-03-17 14:48:20 -04:00 |
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5779731da3
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provide cmbuild wrapper script for cmake. document it and add some improvements to CMake build docs
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2020-03-17 13:04:38 -04:00 |
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2d3423a493
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updating the Packages_details, KIM package
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2020-03-16 08:19:13 -05:00 |
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cfc9fe7e39
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updating the Commands_all, adding kim_property command
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2020-03-16 08:18:19 -05:00 |
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f203258ad5
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updating the Build_extras, KIM package
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2020-03-16 08:17:27 -05:00 |
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dc373dbdeb
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updating the kim_commands doc
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2020-03-16 08:15:59 -05:00 |
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4cdb904e54
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next chunk of converted html files
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2020-03-16 07:34:56 -04:00 |
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649a8cc01a
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Fix typo
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2020-03-14 13:57:48 +09:00 |
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b3040db1e7
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Merge branch 'master' into atc-doc-to-rst
# Conflicts:
# doc/src/fix_atc.rst
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2020-03-13 21:12:12 -04:00 |
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7c6353731e
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Merge pull request #1938 from akohlmey/doc-remove-backslash-underscore
Remove unneeded escapes in documentation source files
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2020-03-13 21:01:04 -04:00 |
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f1cc6c6e57
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Merge pull request #1928 from akohlmey/collected-small-fixes
Collected small fixes and updates for the next patch release
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2020-03-13 19:44:04 -04:00 |
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6805113780
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some more typesetting improvements
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2020-03-13 19:41:33 -04:00 |
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cdec46ba6a
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Some more code-blocks instead of parsed-literal
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2020-03-13 18:38:47 -04:00 |
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e4d6214d3b
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reformat source
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2020-03-13 18:08:47 -04:00 |
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f11e431300
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some updates to building with cmake
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2020-03-13 18:07:49 -04:00 |
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8063088149
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fix a couple of settings
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2020-03-13 18:07:32 -04:00 |
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0c0308db3e
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some more fixups
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2020-03-13 17:02:59 -04:00 |
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a990f1dc89
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some minor fixups
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2020-03-13 16:42:08 -04:00 |
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0b88950e03
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replace '\_' with '_' in plain text where possible
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2020-03-13 16:34:57 -04:00 |
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4e525f1d56
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PPPM in USER-INTEL does not support triclinic cells
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2020-03-13 15:30:52 -04:00 |
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8b8f928347
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update documentation
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2020-03-13 12:19:16 -05:00 |
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80d413b86c
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add reference to the fix_modify command overview in fix atc docs into all atc subcommand docs
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2020-03-13 11:06:11 -04:00 |
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5a81f69495
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next set of converted AtC documentation
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2020-03-13 10:19:12 -04:00 |
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3574673901
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four more atc subcommand doc files converted
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2020-03-13 05:15:35 -04:00 |
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0548dbc729
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a couple more inputs and some formatting tuning/tweaking
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2020-03-12 22:41:23 -04:00 |
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3708c9f3f1
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fix spelling issues
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2020-03-12 21:32:06 -04:00 |
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4df25d9c0b
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four more subcommands converted
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2020-03-12 21:27:44 -04:00 |
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cbd8d07daf
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convert elementset AtC commands
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2020-03-12 16:34:42 -04:00 |
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0a21cdadb5
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converted 4 more fix_modify atc commands
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2020-03-12 15:49:05 -04:00 |
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