51a7038dbf
Merge branch 'master' into fix-tester
2020-08-11 16:14:27 -04:00
ac43f8f685
Merge pull request #1865 from danicholson/bond-style-special
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Add bond style special
2020-08-11 16:06:26 -04:00
3cae295f5b
make test for unsupported pair styles more restrictive and improve docs about that
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EAM styles have a single function but are not compatible, so we test for
single_enable == 0 and manybody_flag != 0.
Improve explanation in the documentation about which pair styles are not supported.
2020-08-11 15:04:14 -04:00
03ca86ee84
Merge branch 'master' into bond-style-special
2020-08-11 13:55:24 -04:00
46021a57a6
addressed incompatibility with long range coulombics
2020-08-11 12:22:07 -04:00
5ee4346700
fixed test for tip4p_long_soft, and mentioned the required coefficients for coul/*/soft sub-styles
2020-08-10 17:16:07 -04:00
2de98999c1
bug fix formula for frame of reference rotation for granular tangential history
2020-08-10 14:51:00 -05:00
bf724332d4
implement tangential force history in mindlin/force and mindlin_rescale/force
2020-08-10 10:53:30 -05:00
869b09a78f
fix typo
2020-08-10 11:08:30 -04:00
4b7356f5af
add support for testing virial contributions from fixes (as an option)
2020-08-09 16:39:31 -04:00
f1da1ed180
document restart capability of fix temp/csld and fix temp/csvr
2020-08-09 15:29:12 -04:00
3ebd194090
update documentation for unit testing to include timestepping fix tests
2020-08-09 08:18:35 -04:00
62a501ebda
store cumulative energy change in restart file
2020-08-09 01:27:14 -04:00
15db052c80
Merge branch 'master' into collected-small-changes
2020-08-05 22:10:10 -04:00
c3075250ee
Merge pull request #2273 from abhiShandy/pair-tests-aug4
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Bunch of units tests for pair-style, angle-style, bond-style
2020-08-05 22:09:28 -04:00
1a642d36ae
fix typo in the math of pair style dpd doc
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- missing closing backticks for math
- V fixed to v for relative velocity
2020-08-04 22:50:26 +02:00
f4aede49dc
Merge branch 'master' into multi-comm-tiled
2020-08-03 22:37:23 -04:00
6bc65dc14c
reference typos in doc
2020-08-03 20:49:02 -04:00
33aa96b1bf
test for buck/mdf, fixed bug in broadcasting inner cutoff, typos in doc
2020-08-03 20:07:24 -04:00
6576c4cbf3
Merge pull request #2260 from akohlmey/collected-small-changes
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Collected small changes
2020-08-03 18:02:17 -04:00
8d406403bb
fix typo in manual
2020-08-03 16:07:06 -04:00
80ceff55d5
failing test for UFM, with cosmetic change in its CPP, and doc correction
2020-08-03 06:01:59 -04:00
74f50ed1bd
Merge branch 'master' into collected-small-changes
2020-07-31 21:51:10 -04:00
1f1263645e
Document warning about short communication cutoff vs. bond length based estimate
2020-07-31 11:03:26 -04:00
7d46aa6185
Merge pull request #2256 from akohlmey/cmake-use-alternate-linker
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Use alternate/faster linker if available
2020-07-29 21:40:17 -04:00
2fa642d95e
document custom linker choice
2020-07-29 18:01:17 -04:00
cb98fa00da
enable CommStyle tiled and load-balancing to work for triclinic
2020-07-29 14:30:49 -06:00
cf83ce6745
reset_mol_ids->reset() version
2020-07-25 00:52:39 -06:00
5528d4d18c
trim excessive white from images
2020-07-23 00:36:15 -04:00
f60c13c845
fix incorrect link
2020-07-23 00:36:02 -04:00
c21ce0b289
make horizontally aligned image formatting consistent and display "click on" message only with html output
2020-07-23 00:35:49 -04:00
b97f2e5b6b
Update compute_saed.rst
2020-07-22 16:48:21 -04:00
bf848c0515
Update compute_xrd.rst
2020-07-22 16:45:56 -04:00
1123add481
Update create_atoms.rst
2020-07-22 16:44:04 -04:00
7f66099732
Update dump_image.rst
2020-07-22 16:41:59 -04:00
b664050e28
Update src/neb.rst
2020-07-22 16:39:18 -04:00
22a1e452ce
Update fix_wall_gran_region.rst
2020-07-22 16:35:45 -04:00
e82367b530
Update balance.rst and fix_balance.rst
2020-07-22 16:31:31 -04:00
e6f7a99ae2
Update Python_examples.rst
2020-07-22 16:27:04 -04:00
6f58ed1c83
Merge pull request #2248 from rbberger/docs-include-accel-text
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Remove duplicated accelerator text passage in docs
2020-07-22 14:14:57 -04:00
89c42d081f
Merge pull request #2247 from rbberger/wsl-docs-update
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Update Windows Subsystem for Linux Tutorial
2020-07-22 13:47:15 -04:00
f9e7b7dd19
Remove outdated or differently formatted common text blocks
2020-07-21 17:54:33 -04:00
177a93d22d
Replace common text block with include
2020-07-21 17:38:56 -04:00
6acc4bc849
Update Windows Subsystem for Linux Tutorial
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Fixes #1953
2020-07-21 14:39:08 -04:00
cbdf1d3a64
consolidate mpi4py link
2020-07-20 20:59:47 -04:00
845b918501
probably better reset_mol_id doc version
2020-07-18 20:59:17 -06:00
edd3fb7108
reset_mol_ids: documented verbose option
2020-07-18 20:51:14 -06:00
da91f81d40
bond/react:doc clarification
2020-07-18 13:42:47 -06:00
371a5c5b61
bond/react: reset_mol_ids docs
2020-07-18 12:44:34 -06:00
211beaee48
Merge pull request #2230 from evoyiatzis/widom
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Implementation of Widom insertions through a new fix widom command
2020-07-18 11:40:04 -04:00
