92c5951d6c
Update to latest changes from upstream
2021-05-11 17:49:03 -04:00
3ac2b36993
add link to Commands_pair.rst
2021-04-23 16:10:00 +02:00
2e63d126e3
change dir to MISC
2021-04-23 15:49:11 +02:00
7d95943b7e
increased bin size in example input file to avoid dangerous builds
2021-04-12 01:46:39 -05:00
d81f03706c
Added an example using real units.
2021-04-12 01:30:36 -05:00
7f8e8c635c
create new reference log files
2021-02-11 08:01:43 -05:00
c583ad6dc4
Merge branch 'master' into charge_regulation2
2021-02-11 07:53:29 -05:00
6c2abf4739
update fix charge/regulation input example to follow LAMMPS conventions closer
2021-02-11 07:53:19 -05:00
60113a6ddf
Applied edits/optimizations suggested by Axel. Further simplifified/fixed MC acceptance equations, few clarifications to documentation.
2021-02-10 13:24:30 -06:00
5646714470
update example inputs and logfile for fix_modify energy yes/no changes, where needed
2021-02-09 11:01:34 -05:00
606b33ea03
Added fix_charge_regulation source code and documentation.
2021-02-05 16:05:37 -06:00
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
05ecf86134
Made changes to propel/self. Kept all features of previous version (and tested they stayed the same), but additionally added dipole option for direction of self-propulsion. Also updated examples.
2020-12-20 16:39:04 +00:00
4c1f449350
Moved brownian dynamics files to be in USER-BROWNIAN package
2020-12-19 17:42:47 +00:00
f2e7f5263e
Added bd integrator for ellipsoidal particles as well.
2020-12-16 16:14:13 +00:00
f81a17abbd
Moved fix_bd_sphere to src/USER-MISC folder, examples to examples/USER/misc folder, and added one-liner on README file.
2020-12-11 12:11:02 +00:00
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
