bc0ff0db61
Commit2 JT 092319
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- added enum to min.h (for norm choice)
- completed doc min_modify
- corrected torque tol issue in spin/min
2019-09-23 13:48:33 -06:00
56e1a05287
Commit JT 092319
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- modified norm input in min_modify
- corrected doc/src/min_modify.txt
- added expression of the norms
- added a min max method in src/min.h
2019-09-23 11:12:31 -06:00
f1563ed988
Commit JT 082719
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- correcting min_modify.txt
2019-08-27 17:44:04 -06:00
8ec4e3fc91
Commit JT 082219
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- modified min spin names (removed oso from spin/cg and spin/lbfgs)
- modified associated option name (from spin_oso_cg to spin/cg, same for
lbfgs)
- modified .gitignore, doc pages, and examples accordingly
2019-08-22 10:48:58 -06:00
12c73e7a61
Merge branch 'upstream-master' into OSO
2019-08-21 14:03:42 +00:00
c71e869a33
define params in creator as init is called after modify
2019-08-21 14:02:34 +00:00
cfa9179b28
Merge pull request #1503 from etomica/master
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Implement HMA compute in LAMMPS
2019-08-21 00:12:16 -04:00
42b282fe36
Merge pull request #1637 from dsbolin/granular_bug_fixes
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Bug fix for fix/wall/gran
2019-08-21 00:09:04 -04:00
c686df1aba
Merge pull request #1621 from akohlmey/collected-small-fixes
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Collected small fixes and updates
2019-08-20 19:36:10 -04:00
ffc023adfe
Merge pull request #1626 from erozic/feature-pair-cossq
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New pair_style cosine/squared
2019-08-20 19:35:45 -04:00
9fc021d8db
Merge pull request #1638 from ellio167/kim-api-2.1.3
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bump kim-api to 2.1.3
2019-08-20 19:34:44 -04:00
91a80c3c21
Silence another compiler warning
2019-08-20 19:28:03 -04:00
fffe2eb958
Silence compiler warning
2019-08-20 19:26:26 -04:00
14b93f91e2
Compute HMA style name should be lowercase (and match the docs)
2019-08-20 19:25:19 -04:00
6b1df07298
compute HMA style name should be lowercase
2019-08-20 19:24:22 -04:00
88ff8ce2d7
fix spelling issues in docs
2019-08-20 12:05:14 -04:00
6d5089e078
Merge branch 'master' into collected-small-fixes
2019-08-20 12:01:52 -04:00
a0f49f27d9
Final tweaks to HMA documentation
2019-08-19 18:15:19 -04:00
9a849a4d4f
Merge branch 'master' into master
2019-08-19 15:55:39 -06:00
b72215fe02
add support for automated checksumming of downloaded sources to kim api conventional build
2019-08-16 12:43:37 -04:00
42711245a2
bump kim-api to 2.1.3
2019-08-16 10:08:23 -06:00
8cfdf4fad5
Merge pull request #1632 from ellio167/kim-query-user-agent
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Add user-agent setting to kim_query curl command
2019-08-16 12:05:55 -04:00
72c5808cfe
Merge pull request #1633 from junghans/chain.x_install
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cmake: install chain.x as well
2019-08-16 12:05:33 -04:00
578bcf0fb0
Fixes normal force calculation bug in fix wall granular, allows twisting to be used without rolling in fix/wall/gran
2019-08-16 01:19:08 -06:00
edbd525bcb
cmake: install chain.x as well
2019-08-14 17:16:43 -06:00
259176c590
Add user-agent setting to kim_query curl command
2019-08-14 17:16:10 -06:00
e4e2342641
no need to include mpi.h in headers that include pointers.h (directly or indirectly)
2019-08-13 11:04:13 -04:00
fa6cf0fa8f
reduce compiler warnings
2019-08-09 16:00:02 -04:00
42239bf480
update USER-MISC README
2019-08-09 15:51:49 -04:00
18725ce060
reformat documentation to match typical LAMMPS conventions, change links
2019-08-09 15:42:32 -04:00
5f442d7b64
add a couple of false positives
2019-08-09 15:31:22 -04:00
11f1ba220b
fix typo
2019-08-09 15:30:55 -04:00
a12b959f39
Merge pull request #1625 from ellio167/kim-logs
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Added logs for examples/kim
2019-08-09 13:47:41 -04:00
d90d2316d1
small tweak on include file list
2019-08-09 11:11:48 -04:00
838238b1ca
documentation
2019-08-08 00:38:41 +02:00
8619462b3b
Added logs for examples/kim
2019-08-07 16:14:22 -05:00
b084ad519d
Merge branch 'master' into feature-pair-cossq
2019-08-07 19:19:16 +02:00
131c5aadd2
Error/warning tweaks
2019-08-07 19:16:54 +02:00
d08d6b5fb0
Merge pull request #1623 from akohlmey/next-version
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Step version string for stable release
2019-08-06 11:17:40 -04:00
db621fc897
Merge pull request #1622 from akohlmey/fix-ave-histo-bugfix
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fix inconsistent enumerator bug in fix ave/histo vs fix ave/histo/weight
2019-08-06 10:54:49 -04:00
c820c92225
Merge pull request #1620 from lammps/replicate
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fix formatting and augment explanation for bbox option
2019-08-06 10:12:19 -04:00
59046e7444
step version number for stable release
2019-08-06 08:52:54 -04:00
4a55e9dd0c
fix inconsistent enumerator bug in fix ave/histo vs fix ave/histo/weight
2019-08-06 07:28:00 -04:00
71ce1c2027
use cube() and square() from math_special.h instead of pow(x,3.0) and pow(x,2.0)
2019-08-05 23:25:06 -04:00
21f3f51ea2
better error messages on accessing invalid IDs in variable expressions
2019-08-05 23:17:38 -04:00
2d64323354
fix formatting and augment explanation for bbox option
2019-08-05 17:21:11 -06:00
25b504d4fd
Merge pull request #1615 from akohlmey/next_version
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Step version string for stable release
2019-08-05 19:13:17 -04:00
34cc7ed5b1
Merge pull request #1619 from ellio167/kim-doc-update
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Update kim query url in docs
2019-08-05 17:39:40 -04:00
3ef93d6e1b
cannot forced enable FFMpeg and gzip on windows yet.
2019-08-05 16:59:18 -04:00
2092b2c010
Step version string for stable release
2019-08-05 16:58:26 -04:00
