8c113f5fdb
added LD potential and wrote html-style doc
2019-09-09 01:51:04 -07:00
6b1df07298
compute HMA style name should be lowercase
2019-08-20 19:24:22 -04:00
9a849a4d4f
Merge branch 'master' into master
2019-08-19 15:55:39 -06:00
5fd323fe32
simplify example folder for ilp/graphene/hbn potential
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- flatten directory structure
- remove CPU time and reduce excess precision from output
- delete redundant and unused files
- regenerate reference outputs
2019-08-01 14:24:47 -04:00
fa6a990536
reduce output precision to default and don't output per-step cpu time
2019-08-01 13:31:52 -04:00
76bac4cedc
Fix communication bug of ILP
2019-08-01 16:39:42 +03:00
8f5cd8661f
Fix communication bug of ILP
2019-08-01 16:38:19 +03:00
88523fdd6e
Merge pull request #1529 from rupertnash/compute_momentum
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add compute momentum command
2019-07-29 22:51:29 -04:00
32728375b9
add test script for compute momentum
2019-07-01 13:39:32 +01:00
af8103433c
add stabilized vs unstabilized examples
2019-06-30 22:13:12 -06:00
87e6fda820
Merge remote-tracking branch 'upstream/master'
2019-06-19 18:52:47 -04:00
395a9d3739
Fold hma compute into USER-MISC
2019-06-19 16:12:15 -04:00
e9666f585f
update log files for kolmogorov/crespi/full potential
2019-06-17 15:46:54 -04:00
92615bda3a
update kolmogorov/crespi/full example input for recent change in REBO
2019-06-17 07:38:11 -04:00
2f580380a4
adjust drip potential example for new requirements for pair style rebo. recreate log files
2019-05-09 12:29:38 -04:00
47cf17e5c8
Merge branch 'master' into pair_drip
2019-05-09 12:19:41 -04:00
db54b03751
Force line length to 80
2019-05-04 22:55:22 -05:00
24e41bc085
Update doc and examples due to the change of parameters
2019-05-04 22:24:05 -05:00
fd3eade6d2
update reference date and examples for changes in REBO
2019-05-04 20:42:36 -04:00
ba7882c1ff
Add parameter file and example
2019-04-19 14:17:57 -05:00
0d78c7b43d
fix elstop: Rename to fix electron/stopping
2019-04-04 09:57:15 +03:00
8c99752cec
Add fix elstop to USER-MISC
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Implements inelastic energy loss for fast particles in solids.
2019-03-26 10:08:20 +02:00
ccdfde4978
Update example log file
2019-01-30 15:16:35 +01:00
7323179de3
rename pair style lebedeva to lebedeva/z to be consistent with kolmolgorov/crespi/z
2019-01-03 17:30:16 -05:00
2d0d08093b
Another attempt to add Lebedeva potential
2018-11-28 09:33:44 +01:00
a37d718ed1
update bond/react examples
2018-11-03 12:01:00 -06:00
44fcdc4024
update reference examples with versions that do not vary by MPI rank count
2018-09-06 21:20:47 -04:00
0c92c22755
moved contents of USER-MOP package to USER-MISC as suggested by @sjplimp
2018-09-05 10:56:12 -04:00
8e14143908
Merge pull request #925 from PabloPiaggi/pair_entropy
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Pair entropy fingerprint
2018-06-26 13:16:09 -06:00
f36e1a2cdc
Changed default deltabin from 2 to 3
2018-06-26 13:06:04 +02:00
9108306c11
Shorter entropy/atom example
2018-06-24 00:36:09 +02:00
86519ce213
Rename compute to entropy/atom
2018-06-24 00:25:07 +02:00
b2e6863d93
add reference log file.
2018-06-15 17:01:26 -04:00
e550f5120b
Updated docs
2018-05-22 12:44:40 +02:00
124641dc8a
Examples - new local option
2018-05-18 15:13:48 +02:00
9d9d7cb9ed
update example log files
2018-05-06 11:10:40 -04:00
916ed71760
fix bond/react final touches
2018-05-06 00:34:03 -06:00
eeee2d3026
Merge pull request #803 from jrgissing/fix_bond_react
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Fix bond react
2018-05-03 14:16:46 -06:00
53cc609c4c
make filenames comply with LAMMPS conventions and add reference log files
2018-05-03 16:03:37 -04:00
5a341bee09
minor cleanup in docs and updated log files for kolmogorov/crespi/full
2018-03-23 06:42:04 -04:00
c398eb6b57
update kolmogorov-crespi examples
2018-03-22 19:42:07 -04:00
8de7c449fc
refactor code and examples to match LAMMPS conventions. whitespace cleanup. shorten examples.
2018-03-22 19:31:41 -04:00
6415befb5b
Add more examples
2018-03-14 16:30:54 +02:00
bbb2a6d641
Finally updated the github tutorial
2018-03-13 17:43:25 +02:00
52446eed6d
make fix bond/react example inputs more similar to other input examples in LAMMPS
2018-03-03 19:34:31 -05:00
7d1de34533
gatherv fix, doc updates
2018-02-24 22:49:28 -07:00
3787b89447
re-add compressed data file (was hidden by .gitignore)
2018-02-22 02:31:25 -05:00
daae906162
move fix bond/react examples and compress large data file
2018-02-21 10:30:35 +01:00
5647522906
various small cosmetic adjustments to increase conformance with LAMMPS programming conventions
2017-11-28 12:34:23 -05:00
5770a20e2c
added ExTeP to USER-MISC
2017-11-27 21:16:51 +01:00
