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c21ce0b289
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make horizontally aligned image formatting consistent and display "click on" message only with html output
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2020-07-23 00:35:49 -04:00 |
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9ceb0fd6a0
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update output formatting and send all to screen and log
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2020-07-22 22:51:47 -04:00 |
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11e3adc91b
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make sure per-atom data is initialized to zero
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2020-07-22 22:51:16 -04:00 |
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545f50f9ec
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limit precision
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2020-07-22 22:50:57 -04:00 |
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b97f2e5b6b
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Update compute_saed.rst
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2020-07-22 16:48:21 -04:00 |
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bf848c0515
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Update compute_xrd.rst
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2020-07-22 16:45:56 -04:00 |
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1123add481
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Update create_atoms.rst
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2020-07-22 16:44:04 -04:00 |
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7f66099732
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Update dump_image.rst
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2020-07-22 16:41:59 -04:00 |
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b664050e28
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Update src/neb.rst
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2020-07-22 16:39:18 -04:00 |
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22a1e452ce
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Update fix_wall_gran_region.rst
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2020-07-22 16:35:45 -04:00 |
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e82367b530
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Update balance.rst and fix_balance.rst
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2020-07-22 16:31:31 -04:00 |
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e6f7a99ae2
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Update Python_examples.rst
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2020-07-22 16:27:04 -04:00 |
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6f58ed1c83
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Merge pull request #2248 from rbberger/docs-include-accel-text
Remove duplicated accelerator text passage in docs
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2020-07-22 14:14:57 -04:00 |
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89c42d081f
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Merge pull request #2247 from rbberger/wsl-docs-update
Update Windows Subsystem for Linux Tutorial
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2020-07-22 13:47:15 -04:00 |
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73eccefeb3
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Merge pull request #2246 from rbberger/docs-theme-update
Update lammps_theme (based on latest sphinx_rtd_theme)
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2020-07-22 12:55:27 -04:00 |
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feebdf9149
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print complete read_data and special output to both screen and logfile
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2020-07-22 07:23:33 -04:00 |
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f9e7b7dd19
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Remove outdated or differently formatted common text blocks
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2020-07-21 17:54:33 -04:00 |
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177a93d22d
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Replace common text block with include
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2020-07-21 17:38:56 -04:00 |
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6acc4bc849
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Update Windows Subsystem for Linux Tutorial
Fixes #1953
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2020-07-21 14:39:08 -04:00 |
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437ff2742d
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Update lammps_theme (based on latest sphinx_rtd_theme)
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2020-07-21 12:44:10 -04:00 |
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938175d2bc
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Merge pull request #2242 from akohlmey/next_lammps_version
Update version strings for next patch release
patch_21Jul2020
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2020-07-20 22:33:37 -04:00 |
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472de2e85a
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Merge pull request #2238 from yafshar/kim_fix
KIM package corrections and refactoring
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2020-07-20 21:22:59 -04:00 |
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cbdf1d3a64
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consolidate mpi4py link
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2020-07-20 20:59:47 -04:00 |
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68df62b869
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support verbose option
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2020-07-20 20:40:20 -04:00 |
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cac4c5d930
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fix merge artifact
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2020-07-20 20:40:02 -04:00 |
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5b4275002c
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Merge branch 'master' into kim_fix
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2020-07-20 20:27:41 -04:00 |
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39cefc4eb3
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Merge pull request #2241 from yafshar/cmake
Update the deprecated property and fix the empty value on macOS
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2020-07-20 12:23:20 -04:00 |
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6d70c393e1
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Merge pull request #2239 from akohlmey/collected-small-changes
Collected small changes and fixes for the next patch release
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2020-07-20 11:35:11 -04:00 |
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1f819ca333
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update the kim_param command test
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2020-07-19 18:35:20 -05:00 |
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3390e1d4c5
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starting of the kim_property command test
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2020-07-19 18:10:00 -05:00 |
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02ff2068cd
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cosmetic changes
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2020-07-19 15:19:53 -04:00 |
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78cfd3ff79
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refactor fix tune/kspace
- make use of std::string to simplify code
- skip over trying MSM, if no suitable pair style present
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2020-07-19 12:15:07 -04:00 |
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b162cefc5f
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for ewald we also have evflag_atom that needs to be initialized
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2020-07-19 12:12:50 -04:00 |
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0008c0eca3
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need to setup bins again if binning style has be reset
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2020-07-19 12:12:20 -04:00 |
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674514f822
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update the kim_param command test
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2020-07-19 10:35:00 -05:00 |
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419404a9b5
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Update the KIM error messages
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2020-07-19 09:24:01 -05:00 |
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c215278ad1
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Update the KIM error messages
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2020-07-19 08:41:52 -05:00 |
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c73f8a5500
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Update the KIM error messages
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2020-07-19 08:13:03 -05:00 |
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c844de03ef
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Update the KIM error messages
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2020-07-19 08:08:30 -05:00 |
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5fec11a0db
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Update the KIM error messages
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2020-07-19 08:04:13 -05:00 |
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262ce37eed
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silence compiler warning
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2020-07-19 07:19:44 -04:00 |
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65bf187a39
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update version string for patch release
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2020-07-18 21:51:01 -04:00 |
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0246feb1c2
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Merge branch 'kim_fix' of github.com:yafshar/lammps into kim_fix
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2020-07-18 20:47:28 -05:00 |
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bba7e3554c
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simplify building aligned mutable parameter trable using fmtlib
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2020-07-18 21:42:33 -04:00 |
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82f5bbf859
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update the kim_interactions command test
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2020-07-18 20:31:36 -05:00 |
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894a7e4bce
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update test
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2020-07-18 21:10:22 -04:00 |
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c1a650d50d
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Update the error messages
Update the error messages and removing an extra Error word at the
start of each message.
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2020-07-18 20:00:11 -05:00 |
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610fea20dd
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clean up the code
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2020-07-18 19:14:00 -05:00 |
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40a053000d
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update output formatting of info command
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2020-07-18 18:54:03 -04:00 |
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bc47ec5027
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update the kim_init command test
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2020-07-18 17:23:24 -05:00 |
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