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"
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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
ed43c1e22b
Merge branch 'master' into feature-cnt
2020-05-18 18:23:16 -04:00
e26be18b1e
update
2020-05-18 17:28:48 -04:00
25632992f4
updates to USER-SPH example scripts
2020-05-06 16:25:07 -06:00
1225f7d1e0
small changes to examples scripts for regression purposes
2020-05-06 15:28:27 -06:00
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
595bb30e14
Merge branch 'master' into user-pafi
2020-04-29 15:35:29 -04:00
3ab797984b
verified cmake compatibility
2020-04-27 18:21:42 +02:00
3bebf017c0
Rename log.22Apr20.tiny_nylon.unstabilized.g++.4 to log.22Apr20.tiny_nylon.stabilized_variable_probability.g++.4
2020-04-25 15:05:32 +02:00
a6c3f2c0e3
Rename log.22Apr20.tiny_nylon.unstabilized.g++.1 to log.22Apr20.tiny_nylon.stabilized_variable_probability.g++.1
2020-04-25 15:04:46 +02:00
643ef2e2bc
return of the data file
2020-04-24 22:59:20 -06:00
7a366de0a9
Delete log.22Apr20.tiny_nylon.unstabilized.g++
2020-04-24 09:39:11 +02:00
5a9cc9e380
updated log files
2020-04-24 09:35:32 +02:00
1751a27ff6
removing example script from nylon melt and adding to tiny nylon
2020-04-22 14:07:11 +02:00
0288bb4b6b
small modification to fix bond/react to allow equal style variables as probability o
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On branch master
Your branch is up to date with 'origin/master'.
Changes to be committed:
modified: doc/src/fix_bond_react.rst
new file: examples/USER/reaction/nylon,6-6_melt/in.large_nylon_melt_variable_probability
modified: src/USER-REACTION/fix_bond_react.cpp
modified: src/USER-REACTION/fix_bond_react.h
2020-04-22 13:27:10 +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
b8d6de2bdc
binary example
2020-04-14 21:21:22 +02:00
6cbd61d929
working with library interface
2020-04-14 21:11:32 +02:00
276608738c
working new version
2020-04-14 15:11:09 +02:00
39799c62fc
update fork
2020-04-13 10:48:20 +02:00
fa4ef70829
code issues
2020-03-25 20:18:07 -04:00
a8fc2005d4
Merge branch 'master' into feature-cnt
2020-03-20 14:35:57 -04:00
53ccc4c607
fix code related issues
2020-03-20 14:21:24 -04:00
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
ca1e1e2dff
Convert British spelling to American
2020-03-18 23:09:23 +09:00
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
a6086c279b
rename USER-MESO package to USER-MESODPD and update related files and folders
2020-03-09 09:48:49 -04:00
bdbbe00ec7
Merge branch 'master' into feature-cnt
2020-03-06 18:41:38 -05:00
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
