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
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
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
5eee4cb1ba
C4 JT 041420
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- reran all SPIN examples
2020-04-14 15:44:15 -06:00
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
41cfb3ae80
Merge branch 'master' into neel-rework
2020-04-14 05:57:08 -04:00
39799c62fc
update fork
2020-04-13 10:48:20 +02:00
9a2348ff15
InP example included
2020-04-09 01:18:34 -07:00
bb9ffe2edc
simple.c: fix lammps include
2020-04-06 14:15:47 -06:00
47709c4cad
Now using mix and match syntax
2020-04-05 00:21:31 -06:00
3329caa7f1
First pass at general ML pair style
2020-04-01 18:07:33 -06:00
ef0df90b48
Merge branch 'master' into cmake_clean_up
2020-03-31 14:42:28 -06:00
22aab4406e
Commit3 033020
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- re-checked all validation problems, ready for PR
2020-03-30 09:32:46 -06:00
961c554ed6
Merge branch 'clean-master2' of github.com:julient31/lammps into neel-rework
2020-03-30 09:01:30 -06:00
547d29d030
Commit2 JT 300320
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- regenerated all spin examples
2020-03-30 08:55:54 -06:00
51e3f9dcda
Commit JT 033020
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- modified all spin pairs (match nve)
- correct doc min_modify
- correct code max norm (square values)
- added draft nvt validation
2020-03-30 08:09:11 -06:00
f30116311f
cmake: add simpleC to CMakeLists.txt
2020-03-28 17:57:53 -06:00
4aadb554a3
cmake: replace incl. dir hack by even better hack
2020-03-28 08:43:13 -06:00
b245872bae
cmake: replace include dir hack by a different hack
2020-03-28 08:28:41 -06:00
5a88db838d
Merge pull request #1946 from yafshar/kim-property
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Add new kim_property command
2020-03-27 20:58:52 -04:00
24ed8749d2
a kim-property command example
2020-03-27 17:17:04 -05:00
16ac65e8cf
cmake: make mpi public again
2020-03-27 15:01:51 -06:00
6f8915e0a5
cmake: updated COUPLE/simple cmake
2020-03-27 13:55:34 -06:00
e601fa4e8d
cmake: add example CMakeLists.txt for xamples/COUPLE/simple
2020-03-26 08:42:00 -06:00
9c51bb6cb3
Merge pull request #4 from lammps/master
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update
2020-03-25 21:25:33 -04:00
fa4ef70829
code issues
2020-03-25 20:18:07 -04:00
