2c54b7e505
update USER-SMD examples: rename files, shorten runs and add logfiles
2020-10-19 15:45:26 -04:00
f67d9bb523
Correct USER smd examples and remove tabs
2020-10-19 14:56:40 +02:00
b1f6a6799c
Merge remote-tracking branch 'github/master' into coul_tt
2020-09-28 13:56:00 -04:00
c217c8df24
shorten example and do not print CPU time output to avoid false positives when comparing
2020-09-28 13:49:08 -04:00
064f735272
source files updated, examples changes
2020-09-25 16:08:20 +02:00
2206de7c68
Examples added, bug fixed
2020-09-21 16:14:33 +02:00
b99e005ca1
Update example output files
2020-09-09 18:26:34 -04:00
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
8dae5d5fc7
Added special_bonds command to input files
2020-07-03 21:03:24 +01:00
284efadf9b
adjust USER-QTB examples to match more closely with LAMMPS' style. add log files.
2020-06-25 17:22:16 -04:00
a519ff2909
Fix broken QTB examples
2020-06-25 13:02:02 -06:00
f812b94e40
Update relative paths to dynamic links
2020-06-23 14:23:41 -07:00
6fbcb84819
Update dynamical matrix examples
2020-06-22 15:26:04 -07:00
3abbf57146
remove executable permissions on files that should not have them
2020-06-15 17:34:21 -04:00
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
cf5c748fb4
Merge branch 'master' into feature-cnt
2020-06-12 05:53:17 -04:00
0bc1c3b2a2
update example logs and inputs
2020-06-12 05:48:49 -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
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
...
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
