ae3a7d8901
minor changes to example
2020-09-01 17:02:24 +02:00
2ee6e9077a
Merge remote-tracking branch 'upstream/master' into 2020
2020-08-24 17:02:53 +02:00
e8fb7c7ece
big update
2020-08-24 16:54:16 +02:00
9aee8d41bd
Merge branch 'master' into collected-small-changes
2020-06-15 12:12:45 -04:00
8d5452d653
must use fabs() instead of abs() on floating point values. update cauchystat example logs
2020-06-13 01:39:55 -04:00
ba5e78b97a
move pair style mesocnt example to the USER-MESONT folder. unbundle potential file
2020-06-12 06:33:45 -04:00
ecc142229d
update outputs again
2020-06-09 15:09:45 -04:00
999ed36e6a
update log files for new version
2020-06-09 15:04:53 -04:00
7088746e36
update logs
2020-06-06 11:59:38 -04:00
d343d2beb1
whitespace and output fixes.
2020-06-06 11:10:32 -04:00
8bfabcab56
update fix orient/eco example to be aligned with LAMMPS conventions
2020-06-06 10:36:35 -04:00
cbd4f59d45
updates "add eco df"
...
We think we followed all your requests/advice/suggestions (thanks!). We were unable to compile the current master (!) on Ubuntu and MacOS unless we added -std=c++11 to the Makefile(s) compiler flags. Note that this is NOT related to this pull request / the ECO Force. With this compiler flag, the current master works well with the fix_orient_eco (now renamed). The fix has been moved to USER-MISC (but we hope to get it to MISC later). We can't "make style_check ", but we have added our command to commands_fix.rst. We don't know GitHub well enough, so we don't know how to make sure that the PR #2122 was already included in the master, which we downloaded today.
2020-06-05 14:57:59 +02:00
a64f70f0b5
removed broken soft link
2020-05-01 16:24:42 +02:00
2571e187d0
updated README, removed broken soft link to potential
2020-05-01 16:23:51 +02:00
64fdaaec3c
citation update
2020-05-01 16:19:03 +02:00
7c620f7514
removed redundant region check, made com/overdamped "yes" or "no" instead of 0/1
2020-05-01 14:36:06 +02:00
79f074eb6a
updated potential path in example
2020-05-01 14:27:33 +02:00
feb6e10734
error messages
2020-05-01 13:53:24 +02:00
910d91bc93
some more tweaks to the example
2020-04-29 17:15:46 -04:00
42d36e360e
cosmetic change
2020-04-29 17:02:18 -04:00
46739329c4
update PAFI example: remove unused data, replace potential with existing one, update logs
2020-04-29 16:41:08 -04:00
3ab797984b
verified cmake compatibility
2020-04-27 18:21:42 +02:00
b1bd0251a9
better example file
2020-04-20 18:32:44 +02:00
8fa2092580
example folder
2020-04-20 10:20:53 +02:00
946cb27267
ignore
2020-04-20 10:20:17 +02:00
0ea2eabbb2
start of clean up
2020-04-17 18:11:59 +02:00
164bf1b60e
Merge pull request #1883 from evoyiatzis/master
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Coulomb pair style with smeared out charges (coul/slater)
2020-03-18 20:52:47 -04:00
649a8cc01a
Fix typo
2020-03-14 13:57:48 +09:00
8af9d40392
Update DOI resolver
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https://www.doi.org/doi_handbook/2_Numbering.html#htmlencoding
2020-03-12 16:53:24 +09:00
21f2ec3a25
Merge branch 'master' into bond/react-new-examples-and-package
2020-03-05 20:08:19 -07:00
6e7e365981
Merge pull request #1888 from lammps/release-preparation
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Documentation and Build script and Info updates for stable release
2020-02-27 13:23:08 -05:00
d89db2ac2a
files generated by the in.slater example script
2020-02-27 16:03:07 +01:00
7849de15b0
Create in.slater
2020-02-27 16:01:38 +01:00
275626a1de
re-enable perpertual neighborlist for compute entropy/atom if avg flag is used only
2020-02-26 13:57:11 -05:00
02e287bf51
convert pair styles dpd to exp6
2020-02-24 15:41:16 -05:00
ec887b37da
Merge branch 'master' of https://github.com/lammps/lammps into bond/react-new-examples-and-package
2020-02-17 21:34:20 -07:00
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
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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
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
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
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
cb20d73a82
consistent name for pot file, symbolic link in examples
2020-01-15 20:45:13 +00:00
48cdd6c2fb
refactor mesocnt example to be better suited for testing and add logs
2020-01-15 14:23:19 -05:00
2f1e3d8490
Merge branch 'master' into ph-cntmeso
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# Conflicts:
# doc/src/pairs.txt
2020-01-15 11:45:14 -05:00
331fff0613
moved files to USER-MISC, added README entry, added examples
2020-01-15 12:07:26 +00:00
ebdc4b1ce3
rework npt/cauchy example to use bundled potential, run shorter and move to proper folder
2020-01-12 14:46:55 -05:00
60c0270375
Added option to impose fix propel/self only to specific types
2020-01-10 11:32:03 +01:00
6240a7e278
Fixed example 3d_quaternion
2020-01-10 11:32:00 +01:00
f7bbc81d9b
Added angular momentum thermostatting to 3d quaternion example.
2020-01-10 11:32:00 +01:00
