b0ba91d353
add false positive
2020-01-20 11:58:59 -05:00
8ed271f16f
change mode of propel/self to quat instead of quaternion
2020-01-20 17:41:20 +01:00
af1e797271
fix mass and nve/asphere
...
1. Set mass to 1. The radius is 1/2, so the density must be
1/(4/3 pi 1/2^3)
2. Use nve/asphere instead of nve. Else, the particle's orientation are
not integrated.
2020-01-20 12:48:26 +01:00
074e18d9cb
fix one more whitespace issue
2020-01-19 13:34:21 -05:00
5e740c9cc5
documentation and examples cleanup for fix propel/self
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- rename example folder
- remove .txt format docs
- remove obsolete fix active sources
- update readme in src/USER-MISC
- replace non-ASCII characters and fix spelling issues
2020-01-19 13:29:52 -05:00
f4d9715cc7
make code follow LAMMPS conventions more closely and do some cleanups
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- remove tabs and trailing whitespace
- remove references to atom style body, since code only works with ellipsoid
- adjust function names and tests for requirements to be more obvious and work correctly in parallel
- remove rather specific debug code
- remove non-essential c++11 features
- refactor, correct, and simplify parsing of types keyword arguments
2020-01-19 13:07:54 -05:00
d739e017ad
tweak examples to be shorter/faster
2020-01-19 12:22:22 -05:00
4c8a857960
Merge branch 'master' into fix-active-rebase-5
2020-01-17 22:11:55 +01:00
868df1f640
Merge pull request #1843 from oywg11/new-ILP-parameters
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New ILP paramters and pair style improvements
2020-01-16 16:53:59 -05:00
96cc098dc1
Merge branch 'new-ILP-parameters' of github.com:oywg11/lammps into new-ILP-parameters
...
# Conflicts:
# doc/txt/pair_ilp_graphene_hbn.txt
# doc/txt/pair_kolmogorov_crespi_full.txt
2020-01-16 14:18:42 -05:00
8ffe15871a
Refine the doc files
2020-01-16 21:12:02 +02:00
4dc37bf56e
replace tabs and remove trailing whitespace
2020-01-16 14:06:15 -05:00
2c86c79dbb
correct issue with command table for fix styles
2020-01-16 14:04:48 -05:00
ef2ac8aa26
convert updated docs to rst and remove .txt sources
2020-01-16 14:04:14 -05:00
b2b28015c4
New ILP paramters
2020-01-16 16:46:04 +02:00
f1c79fb914
Merge pull request #1096 from ProfessorMiller/master
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Changes to the NH fix enabling Cauchy stress control (Cauhchystat) du…
2020-01-15 17:35:03 -05:00
77a28c404a
Merge pull request #1831 from akohlmey/pair-bop-updates
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Correct some issues with pair style bop and its potential files
2020-01-15 17:30:07 -05:00
4e32af5d49
Merge branch 'master' into pair-bop-updates
2020-01-15 17:13:22 -05:00
62f0d87e59
update .gitignore for recently added styles
2020-01-15 17:13:14 -05:00
df24475ea1
update bop potential files to the latest versions
2020-01-15 16:50:10 -05:00
4801f013a5
correct logic error in reading of bop potential files
2020-01-15 16:49:23 -05:00
3efc5b0b64
Merge pull request #1841 from phankl/stable
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Mesoscopic potential for carbon nanotubes
2020-01-15 16:31:40 -05:00
cb20d73a82
consistent name for pot file, symbolic link in examples
2020-01-15 20:45:13 +00:00
1ed50bcdde
Merge pull request #1837 from akohlmey/collected-small-changes
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Collected small changes for the next patch release
2020-01-15 15:34:00 -05:00
f888c436c3
use safe fgets version and check sscanf() return value for correct parsion of potential file header
2020-01-15 14:24:02 -05:00
48cdd6c2fb
refactor mesocnt example to be better suited for testing and add logs
2020-01-15 14:23:19 -05:00
90d5f7be01
Merge remote-tracking branch 'cntmeso/stable' into ph-cntmeso
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# Conflicts:
# doc/src/pair_mesocnt.rst
2020-01-15 13:54:37 -05:00
3cb26e576d
make sure communication buffers are fully initialized
2020-01-15 13:47:01 -05:00
f05175eb1d
properly initialize eflag/vflag and all related properties
2020-01-15 13:42:50 -05:00
500363ab83
move functions in MathExtra namespace to math_extra.h header file
2020-01-15 13:42:14 -05:00
34bc3b1b2e
changed documentation format to .rst
2020-01-15 18:23:45 +00:00
51f41d4559
add missing rst format doc file
2020-01-15 13:05:28 -05:00
a74c3b912b
remove tabs and trailing whitespace, adjust source format to closer match LAMMPS style
2020-01-15 12:54:37 -05:00
4d20f1623c
remove outdated .txt versions of documentation
2020-01-15 11:53:21 -05:00
97bcce77d3
update documentation to rst format and integrate into lists/tables
2020-01-15 11:52:49 -05:00
2f1e3d8490
Merge branch 'master' into ph-cntmeso
...
# Conflicts:
# doc/src/pairs.txt
2020-01-15 11:45:14 -05:00
a8d27efbe7
fixed typos in documenation, added words to false positives for spell check
2020-01-15 14:33:52 +00:00
902d772b85
removed harmonic bond and angle from repo
2020-01-15 13:47:51 +00:00
331fff0613
moved files to USER-MISC, added README entry, added examples
2020-01-15 12:07:26 +00:00
198a40ada6
fixed typo in documentation
2020-01-15 11:43:11 +00:00
9ef984daaa
added documentation
2020-01-15 11:04:43 +00:00
133be2132d
Merge remote-tracking branch 'github/junghans-patch-1' into collected-small-changes
2020-01-14 16:57:52 -05:00
392b32ef6f
cmake: fix warning about chain.x
2020-01-14 14:26:28 -07:00
cbf3756923
correct CR/LF into plain LF line endings
2020-01-14 15:57:37 -05:00
a57f6f5852
Merge pull request #1838 from lammps/stochastic-example
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enhanced stochastic wall example
2020-01-14 15:55:24 -05:00
93b6d5312d
update the github workflow document for recent changes
2020-01-14 15:42:55 -05:00
16d6932aca
update the contributing guidelines to new documentation format and additional policies and checks
2020-01-14 15:37:07 -05:00
ceeae57172
enhanced stochastic wall example
2020-01-14 13:20:35 -07:00
50aa52fc9c
replace (evil) tabs with blanks
2020-01-14 15:08:56 -05:00
ded3354fa9
add comments about thread safety to the library howto
2020-01-14 15:04:17 -05:00
