c93ca5b4a4
Added a fix to add active force to particles.
2020-01-10 11:31:16 +01:00
c3922c7e35
rename package USER-REACTION
2020-01-09 20:07:41 -07:00
1dc8d4acaa
bond/react: repackage examples
2020-01-01 12:58:10 -05:00
293e5c3242
bond/react: tiny polystyrene example
2019-12-31 19:35:42 -05:00
895c6be182
bond/react: tiny epoxy example
2019-12-31 19:32:28 -05:00
f4491011d0
Modified README
2019-11-15 18:54:37 +00:00
f96520ffc6
Added unique base pairing
2019-11-15 17:49:17 +00:00
1df3a71734
Updated documentation
2019-11-15 15:35:19 +00:00
84165da4e7
Deleted old log files
2019-10-17 19:34:04 +01:00
5652154b3c
Added log files
2019-10-17 18:37:55 +01:00
b29a962032
Corrected r_stk_high coefficient
2019-10-17 16:16:28 +01:00
8c4798b692
added dynamical matrix python script
2019-09-26 12:39:55 -07:00
ed6dd1a632
Merge pull request #1666 from tanmoy7989/local_density
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added LD potential and wrote html-style doc
2019-09-19 11:45:46 -04:00
d4d5f241eb
use improper style fourier instead of non-existing style opls
2019-09-17 14:48:58 -04:00
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
602b4a47c0
Fix failing regression test
2019-07-30 10:37:27 -06:00
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
7043b9f620
Merge pull request #1548 from jrgissing/bond/react-clarify-how-stabilization-works
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Bond/react clarify how stabilization works
2019-07-29 19:55:24 -04:00
243ce8dbfc
Merge branch 'master' into compute_momentum
2019-07-22 09:48:08 +01:00
c2643a519e
Clarified explanation of new example3
2019-07-19 13:29:39 +01:00
57fd9723a5
Added comment on new duplex3
2019-07-19 12:30:01 +01:00
7bf9757755
Updated input and log files, amended comment in data files
2019-07-19 11:57:58 +01:00
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
45a2f9ae68
Merge remote-tracking branch 'upstream/master'
2019-06-10 16:15:07 -04:00
49d9089a63
USER-PAFI examples
2019-05-22 13:50:07 +02:00
646d833027
USER-PAFI
2019-05-22 10:29:29 +02:00
805cc18b2d
Merge branch 'master' into e3b
2019-05-12 22:22:31 -05:00
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
da75fc3eaa
incorporate compute_pe_e3b into compute_pair
2019-05-08 09:05:09 -05:00
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
795cdf456f
simplify example and skip the system generation step, so it gives consistent results in serial and parallel
2019-04-25 19:02:35 -04:00
ba7882c1ff
Add parameter file and example
2019-04-19 14:17:57 -05:00
69e7a2a237
add e3b water model
2019-04-16 11:32:47 -05:00
0d78c7b43d
fix elstop: Rename to fix electron/stopping
2019-04-04 09:57:15 +03:00
bbec50bef1
Add HMA examples
2019-03-29 15:06:49 -04:00
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
