5646714470
update example inputs and logfile for fix_modify energy yes/no changes, where needed
2021-02-09 11:01:34 -05:00
bcb5f00743
disable dump by default
2021-01-19 22:59:17 -05:00
d0ec325adb
re-add log files for AGNI examples
2021-01-19 22:49:41 -05:00
320b5e5c55
Rewrote file-reader to be backwards comaptible with old agni files, reverted Al_jpc.agni
2021-01-19 17:30:11 -08:00
9da847e4c0
Added Axel's suggestions for char* to string, updated potential files
2021-01-19 12:55:03 -08:00
4f3e693b4a
Delete README
2020-11-05 12:50:41 -07:00
a04faff152
Merge branch 'master' of github.com:lammps/lammps
2020-11-05 10:03:06 -07:00
2ed11f55d6
fix URLs to documentation files
2020-10-21 11:12:13 -04:00
0cc0d10092
Removing the electron_stopping_fit folder
2020-09-24 20:36:29 -06:00
1778c82307
Moved electron/stopping/fit information to the exisiting electron_stopping folder
2020-09-24 20:34:31 -06:00
60e237a39f
Fixing text
2020-09-24 20:32:40 -06:00
9e520b63c6
Fixing text
2020-09-24 20:31:33 -06:00
88b0963cf8
Deleting files
2020-09-24 20:24:34 -06:00
0511bc38e0
Updated 2 species example to use an existing potential, and generated new log files for each case.
2020-09-24 20:22:10 -06:00
33bf8270a6
Editing system sizes and run times
2020-09-24 16:34:16 -06:00
a6e18eaf42
Deleting files
2020-09-24 16:23:25 -06:00
c997925584
Commented out dump commands in input files, edited in.cascade_SiSi to read from /potentials/SiC.tersoff.zbl, and deleted Si.tersoff.zbl file
2020-09-24 16:21:51 -06:00
6675371d6b
Removed elec_drag folder
2020-09-24 15:40:56 -06:00
f5635208e3
Modified the fix_elec_drag.* name to fix_electron_stopping_fit.* to align with and distinguish from existing fix_electron_stopping.*
2020-09-23 17:14:14 -06:00
6392d24411
Added an electronic stopping fix (fix_elec_drag.*) to USER-MISC/, with corresponding examples in examples/USER/misc/
2020-09-23 16:36:12 -06:00
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
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
...
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
...
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
