4f3c87f8c4
Merge pull request #1423 from akohlmey/next-patch-release
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Step version string for next patch release
2019-04-30 19:52:35 -04:00
02d5f17a18
Merge pull request #1437 from lammps/gpu_cmake_bugfix
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Fix GenerateOpenCLHeader CMake utilitiy to avoid uncompilable CL code
2019-04-30 19:05:59 -04:00
7fbd409f5b
Fix GenerateOpenCLHeader CMake utilitiy to avoid uncompilable CL code
2019-04-30 12:59:27 -04:00
faa0da9976
Merge pull request #1434 from ellio167/reaxc-multi-instance-fix
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Reaxc multi instance fix
2019-04-30 12:03:43 -04:00
e08080cae5
Merge pull request #1436 from rbberger/gpu_opencl_bugfixes
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GPU package bugfixes
2019-04-30 12:02:52 -04:00
7b7f405d2c
Merge remote-tracking branch 'origin/master' into gpu_opencl_bugfixes
2019-04-30 01:39:19 -04:00
66d94572e0
Add missing includes to OpenCL CMake builds of re_squared and tersoff kernels
2019-04-30 01:37:27 -04:00
8145c5028d
Fix OpenCL compilation errors due to bad comments in macros
2019-04-30 00:44:12 -04:00
0005ee3e93
Merge pull request #1435 from akohlmey/collected-small-changes
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Collected small changes for next patch release
2019-04-29 20:19:50 -04:00
8d9697dbf6
Merge pull request #1420 from dsbolin/gran_mods
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Updates and bugfixes to GRANULAR package
2019-04-29 14:16:25 -04:00
f052509015
Merge pull request #1421 from julient31/gneb_spin
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Adding a GNEB implementation in the SPIN package
2019-04-29 14:14:58 -04:00
97baee4931
Commit2 JT 042919
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- modified energy/torque tolerance for faster convergence in
examples/SPIN/gneb/skyrmion/in.gneb.skyrmion
2019-04-29 08:23:57 -06:00
96e51d11ad
equilibrium angle must be converted to radians in angle style table
2019-04-29 10:09:33 -04:00
0bb2e004ab
Commit JT 042919
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- corrections Axel 1
2019-04-29 08:08:56 -06:00
98daf8f825
optimize granular examples and include logs
2019-04-29 09:48:57 -04:00
af8a71b1ad
while space and source formatting cleanup
2019-04-29 09:17:29 -04:00
0fac0e18d1
no need for libm or GSL to compile the interpolate code
2019-04-27 17:50:12 -04:00
8102fdcf24
make sure r3inv is initialized when lj and coul cutoff are different
2019-04-27 14:51:37 -04:00
5d9e85d840
make sure r6inv is initialized and not computed multiple times
2019-04-27 14:43:13 -04:00
d190b76075
remove unused custom constructor
2019-04-27 13:22:14 -04:00
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
0e7d647aeb
Switch to sprintf() instead of std::string etc.
2019-04-25 16:50:17 -05:00
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
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
37d84de09c
flushing buffer to see more messages for error->one calls
2019-04-18 15:55:21 -06:00
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.
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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
0b24a3d830
Added a 'mass_velocity' damping option to the new granular pair styles and granular wall interaction.
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This is to more closely match the old style pair gran/hooke/* damping behavior.
Updated doc page accordingly, as well as adding some examples on how to match old pair gran/* styles.
2019-04-15 16:14:02 -06:00
2e9404acdf
Fix typo [skip ci]
2019-04-15 16:06:36 +09:00
d0826f2838
Added granular example input scripts
2019-04-13 23:52:30 -06:00
d33a30806a
Minor code clean up in pair_granular.cpp
2019-04-13 23:37:46 -06:00
14d3d09de3
Fixed several errors in granular doc pages, particularly coefficients in examples
2019-04-13 23:36:40 -06:00
5e3929de56
Commit2 JT 041019
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- correct spelling in Howto_spin.txt
2019-04-10 13:35:58 -06:00
70c816aa02
Commit JT 041019
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- corrected setforce/spin
- added an example
- added the documentation (in setforce)
- updated the Howto_spin documentation
2019-04-10 13:18:33 -06:00
3d7b387786
Commit JT 040919
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- first working version of setforce
- modified fix nve/spin to account for it
2019-04-09 16:57:27 -06:00
4af22a723d
Fixes several bugs in fix wall/gran, wall/gran/region:
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1. Radius of curvature for curved regions was incorrectly used to compute wall-particle overlaps
2. Uninitialized values of rolling and twisting history could produce crashes in
cases that don't initialize these to 0 by default. These are now initialized to 0.
3. Fixed a bug with the use of 'NULL' for specification of the tangential stiffness for
wall/gran and wall/gran/region
2019-04-09 16:40:49 -06:00
915c3a6001
step version number for next patch release
2019-04-09 03:06:04 -04:00
8ec231a8e5
Commit JT 040819
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- corrected bug in fix nve/spin (init tables with grow)
- start work for fix setforce/spin
2019-04-08 16:54:25 -06:00
