40e0e78abd
import template atom ID check from PR #1822
2020-01-22 15:02:55 -05:00
0623859f36
fix small bug in pair style extep
2020-01-22 11:25:13 -05:00
12de17621f
Merge branch 'master' into collected-small-changes
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# Conflicts:
# doc/src/Commands_fix.rst
2020-01-20 16:59:42 -05:00
7766b29c97
replace strncmp by strcmp
2020-01-20 21:54:29 +01:00
3ccab876f7
fix string length for strncmp
2020-01-20 18:16:20 +01:00
8ed271f16f
change mode of propel/self to quat instead of quaternion
2020-01-20 17:41:20 +01:00
0bed348073
fix typo
2020-01-20 07:17:39 -05:00
019e269ed9
silence compiler warning
2020-01-20 07:12:22 -05:00
3ff49dfd59
avoid segfault when using per-particle masses
2020-01-20 07:12:12 -05:00
074e18d9cb
fix one more whitespace issue
2020-01-19 13:34:21 -05:00
0471d211a2
remove dead code and silence compiler warnings
2020-01-19 13:33:16 -05:00
5e740c9cc5
documentation and examples cleanup for fix propel/self
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- rename example folder
- remove .txt format docs
- remove obsolete fix active sources
- update readme in src/USER-MISC
- replace non-ASCII characters and fix spelling issues
2020-01-19 13:29:52 -05:00
f4d9715cc7
make code follow LAMMPS conventions more closely and do some cleanups
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- remove tabs and trailing whitespace
- remove references to atom style body, since code only works with ellipsoid
- adjust function names and tests for requirements to be more obvious and work correctly in parallel
- remove rather specific debug code
- remove non-essential c++11 features
- refactor, correct, and simplify parsing of types keyword arguments
2020-01-19 13:07:54 -05:00
4c8a857960
Merge branch 'master' into fix-active-rebase-5
2020-01-17 22:11:55 +01:00
4dc37bf56e
replace tabs and remove trailing whitespace
2020-01-16 14:06:15 -05:00
b2b28015c4
New ILP paramters
2020-01-16 16:46:04 +02:00
f1c79fb914
Merge pull request #1096 from ProfessorMiller/master
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Changes to the NH fix enabling Cauchy stress control (Cauhchystat) du…
2020-01-15 17:35:03 -05:00
f888c436c3
use safe fgets version and check sscanf() return value for correct parsion of potential file header
2020-01-15 14:24:02 -05:00
f05175eb1d
properly initialize eflag/vflag and all related properties
2020-01-15 13:42:50 -05:00
500363ab83
move functions in MathExtra namespace to math_extra.h header file
2020-01-15 13:42:14 -05:00
a74c3b912b
remove tabs and trailing whitespace, adjust source format to closer match LAMMPS style
2020-01-15 12:54:37 -05:00
2f1e3d8490
Merge branch 'master' into ph-cntmeso
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# Conflicts:
# doc/src/pairs.txt
2020-01-15 11:45:14 -05:00
331fff0613
moved files to USER-MISC, added README entry, added examples
2020-01-15 12:07:26 +00:00
ceeae57172
enhanced stochastic wall example
2020-01-14 13:20:35 -07:00
1ce1474864
Update README
2020-01-14 18:13:53 +01:00
9de4e56f3e
Update README
2020-01-14 18:12:33 +01:00
41792da707
Update fix_wall_reflect_stochastic.cpp
2020-01-14 18:08:42 +01:00
0a84106b23
fix whitespace issues
2020-01-13 22:47:06 -05:00
d3348371e1
refactoring of code and doc files
2020-01-13 15:22:02 -07:00
aa70f8cc6b
small edits for reformatting
2020-01-13 14:26:22 -07:00
51efee43be
sync to master
2020-01-13 13:42:05 -07:00
22af416c53
correct output to be consistent with other code in LAMMPS
2020-01-12 14:47:15 -05:00
0d6ec02d5a
small corrections and more cleanup
2020-01-12 14:31:05 -05:00
107c5bbced
Merge branch 'master' into cauchystat and resolve conflicts
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# Conflicts:
# cmake/CMakeLists.txt
# doc/src/Commands_fix.txt
# doc/src/Packages_details.txt
# doc/src/Packages_user.txt
# doc/src/fix_nh.txt
# doc/src/fixes.txt
# doc/src/lammps.book
# src/Makefile
2020-01-12 13:58:41 -05:00
b6d86e3c91
merge fix sources and move into USER-MISC package. clean up docs
2020-01-12 13:45:22 -05:00
fe4f7899d2
Use x-axis along the particle's quaternion.
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This change allows the fix to work in 2D as well.
2020-01-10 11:32:57 +01:00
60c0270375
Added option to impose fix propel/self only to specific types
2020-01-10 11:32:03 +01:00
768fd8f7fe
Added type support.
2020-01-10 11:32:02 +01:00
3144b91fb3
Some code clean-up, added safety check in post_force_velocity.
2020-01-10 11:31:58 +01:00
074dfd8651
Commit before merging latest changes in master.
2020-01-10 11:31:57 +01:00
8c7890b6df
Added two modes, one via velocity and one via quaternion.
2020-01-10 11:31:57 +01:00
942812a654
Commit before changing branches.
2020-01-10 11:31:21 +01:00
2a0081d135
Renamed fix active to fix propel/self
2020-01-10 11:31:20 +01:00
c93ca5b4a4
Added a fix to add active force to particles.
2020-01-10 11:31:16 +01:00
402f5585ff
Merge pull request #1795 from jrgissing/bond/react-chiral_centers
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Bond/react chiral centers
2019-12-19 16:13:32 -05:00
4cb797e63d
correct image atom mistake
2019-12-02 14:25:58 -05:00
819fe9ec56
add option to enforce atom chirality
2019-12-02 12:27:57 -05:00
36e102516f
angle constraint bugfix
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ghost atom fix
2019-12-02 10:34:03 -05:00
3b6a42dc79
clarify the impact of the lack of potential energy in pair style agni
2019-11-26 14:46:32 -05:00
f704079fb7
remove trailing whitespace
2019-11-12 16:13:01 -05:00
