930748f6f2
change neb/spin class names to better match the conventions used in the rest of LAMMPS
2019-04-27 13:16:37 -04:00
6fc2bda01c
some whitespace cleanup
2019-04-27 07:52:25 -04:00
8c6e1e2448
fix python package issue updating the time stamp on the wrong file
2019-04-26 15:52:56 -04:00
809bd3d1bb
update .gitignore for recent additions
2019-04-26 15:52:16 -04:00
d9fc4a152b
simplify handling of fix id for fix reaxc. remove shadowed variable.
2019-04-26 14:25:57 -04:00
d3327ffd16
add new optional styles to .gitignore
2019-04-25 19:03:00 -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
e481c5f35b
Merge branch 'e3b' of github.com:sstrong99/lammps into e3b
2019-04-25 17:49:50 -05:00
5df8a42e24
dont set manybody_flag
2019-04-25 17:49:38 -05:00
21d0a16b6f
minor tweak
2019-04-25 18:06:09 -04:00
a9388e86e3
add one more false positive
2019-04-25 18:00:27 -04:00
80af0281d1
replace non-ASCII characters
2019-04-25 17:54:27 -04:00
0e7d647aeb
Switch to sprintf() instead of std::string etc.
2019-04-25 16:50:17 -05:00
8882436078
add e3b styles to legacy documentation build
2019-04-25 17:49:35 -04:00
ceff147fc0
Merge pull request #1427 from e-kwsm/fix-typo
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Fix typo [skip ci]
2019-04-25 17:01:17 -04:00
8d9a44a837
set april 30th for next patch release
2019-04-25 16:55:46 -04:00
e3d7b52b80
Merge pull request #1431 from Adrian-Diaz/print-error-messages
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flushing screen and logfile stdio buffers to see more error messages for error->one calls
2019-04-25 16:51:37 -04:00
c55174ac1d
Merge pull request #1424 from julient31/setforce_spin
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Adding a fix setforce/spin to the SPIN package
2019-04-25 16:37:41 -04:00
b93d9e6f7f
reaxc: Fixes to allow multiple object instances
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Move LR into system structure
Make fix_reaxc have unique id for each instance
closes #1432
2019-04-25 10:44:08 -05:00
16fd5904ed
Commit2 JT 042519
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- slight correction in doc/src/command_list.txt
2019-04-25 09:31:57 -06:00
7c3f619e13
Commit JT 042519
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- moved examples/SPIN/gneb/interpolate/ toward
tools/spin/interpolate/gneb
- added gneb in the command files in doc/src
- modified the error messages in neb_spin.h/cpp
2019-04-25 09:18:33 -06:00
47d4aa6803
add new false positives
2019-04-24 17:35:17 -05:00
f548e2717e
add new false positives
2019-04-24 17:31:44 -05:00
6088f2a6a2
One more bug in pair_granular.cpp, where JKR cutoff was incorrectly computed. Thanks to Ishan Srivastava for finding this one
2019-04-23 22:58:42 -06:00
0673f6f2b9
Fixes a bug in pair granular that caused JKR cutoffs to be set incorrectly when multiple types with multiple cohesion values are used
2019-04-23 15:52:32 -06:00
4c19eab64c
Bugfix no 3 nearest neighbors for ghost atoms near boundary
2019-04-23 14:39:47 -05:00
cb6b498127
Commit JT 042219
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- change ntot -> nlocal
2019-04-22 14:43:01 -06:00
a243be2dc9
Added bare-bones yarray algorithm, 2x speedup
2019-04-21 22:10:03 -06:00
a696b26301
Merge branch 'clean-master2' of github.com:julient31/lammps into pppm_spin
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Conflicts:
src/SPIN/pair_spin_exchange.cpp
src/atom.cpp
src/pair.cpp
2019-04-19 15:02:25 -06:00
c6d0f7ca87
Update equations
2019-04-19 14:27:03 -05:00
ba7882c1ff
Add parameter file and example
2019-04-19 14:17:57 -05:00
d3c5d7e423
Add documentation
2019-04-19 13:56:26 -05:00
dec1ad19b5
added e3b.jpg
2019-04-19 10:33:51 -05:00
37d84de09c
flushing buffer to see more messages for error->one calls
2019-04-18 15:55:21 -06:00
941281e9e9
fixed isnan error
2019-04-18 10:11:00 -05:00
e700ccd4df
Update header
2019-04-17 22:11:24 -05:00
4621af4b9d
Modify to accept NULL for pair_coeff
2019-04-17 21:34:55 -05:00
f27ed871f9
Uncrustify code
2019-04-17 18:11:31 -05:00
16bb8a1439
Clean up comments
2019-04-17 16:58:18 -05:00
4a4297591e
Did some more cleanups
2019-04-17 12:04:31 -05:00
d6f3a95599
Remove unused variables and methods
2019-04-17 10:53:45 -05:00
cb30414820
Add contribution to virial and atom virial
2019-04-17 10:05:05 -05:00
1f43efc111
Cleaned up the changes in Device and the base class of the pair styles
2019-04-17 00:09:49 -05:00
c55009a0ac
Enabled neighbor list build on the device with pair_style hybrid and hybrid/overlay
2019-04-16 23:30:25 -05:00
ebee2b588c
Merge branch 'gran_mods' of github.com:dsbolin/lammps into gran_mods
2019-04-16 17:00:10 -06:00
4b2388339e
Fixes bug in calculation of relative tangential velocity for granular wall particle interactions.
...
Thanks to Andrew Santos for providing a test case that reveals this.
2019-04-16 16:59:21 -06:00
1d4372c24d
Fixes bug in calculation of relative tangential velocity for granular wall particle interactions
2019-04-16 16:40:41 -06:00
82a87322ed
Get the same forces as KIM implementation
2019-04-16 16:54:17 -05:00
5fb164d586
Get total energy correct
2019-04-16 15:04:16 -05:00
4c565db9af
update contrib authors
2019-04-16 11:50:33 -05:00
