9aee8d41bd
Merge branch 'master' into collected-small-changes
2020-06-15 12:12:45 -04:00
78117205ce
make He table potentials canonical and add UNITS: tag
2020-06-14 10:46:56 -04:00
7dd186d0ad
Refactored chemsnap input options
2020-06-13 12:50:01 -06:00
7ba731c711
Renamed InP potential files and create standard log files
2020-06-13 10:47:52 -06:00
7ea1e60ec5
Renamed InP potential files and create standard log files
2020-06-13 10:47:29 -06:00
eec9773815
Moved InP files to potentials dir
2020-06-13 10:25:11 -06:00
8d5452d653
must use fabs() instead of abs() on floating point values. update cauchystat example logs
2020-06-13 01:39:55 -04:00
ebcc68f2cf
Renamed InP files and tweaked
2020-06-12 17:58:33 -06:00
574f6307e7
Merge master into chem_snap and update dulist merge conflict
2020-06-12 13:31:43 -07:00
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
d95859c73b
update hyperdynamics example log files
2020-06-11 16:52:30 -04:00
62045cfb10
Merge branch 'master' into chem_snap
2020-06-09 14:30:55 -07:00
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
53e3421b6f
Merge branch 'master' into chem_snap
2020-06-01 17:22:05 -07:00
98b0619c3c
ECO Driving force
...
adds an energy to each atom depending on the surrounding crystal orientation, in order to drive grain boundaries
2020-05-28 13:51:56 +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
8ed5829d32
Merge branch 'atomvec-custom' of github.com:lammps/lammps into atomvec-custom
2020-05-06 16:25:22 -06:00
25632992f4
updates to USER-SPH example scripts
2020-05-06 16:25:07 -06:00
8301c7a9c6
Merge branch 'master' of ssh://github.com/lammps/lammps into atomvec-custom
2020-05-06 15:53:21 -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
26321d49c4
Update How-to viscosity and put the example together with other viscosity examples.
2020-04-30 17:05:01 +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
681878aa24
Merge branch 'master' into viscosity
2020-04-28 17:11:04 -04:00
e5acf9da7d
Merge branch 'clean-master2' of github.com:julient31/lammps into exchange-biquadratic
2020-04-28 13:12:10 -06:00
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
9266c74370
move fix_accelerate_cos and compute_viscosity_cos to USER-MISC
2020-04-24 15:30:20 +02:00
0bb41bf00b
Add ouput for the example for USER-VISCOSITY package
2020-04-24 14:41:03 +02:00
a30d4a6c6f
Add documents and minor fix for USER-VISCOSITY package
2020-04-24 14:41:03 +02:00
c7e4304ab6
add package and examples for viscosity calculation
2020-04-24 14:28:46 +02:00
7a366de0a9
Delete log.22Apr20.tiny_nylon.unstabilized.g++
2020-04-24 09:39:11 +02:00
