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Diffusion lammps (master) Graph

lammps/src/USER-MISC
master

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CommitAuthorDetailsCommitted
281b1dc37571Steve Plimpton
small updates to recently added docs and rename of an example dir 
Oct 18 2017
35f2cfa0bfafSteve Plimpton/GitHub
Merge pull request #669 from urpedersen/master 
Oct 18 2017
251f28049a3dAxel Kohlmeyer
make fix rhok more similar to other LAMMPS sources 
Oct 3 2017
8a2cf5ce8e77Ulf R. Pedersen/GitHub
reformatting and use citeme class 
Oct 3 2017
8f79f5ddb9daUlf R. Pedersen/GitHub
add the LAMMPS copyright 
Oct 3 2017
40ae6f215bb7Ulf R. Pedersen/GitHub
add the usual LAMMPS copyright 
Oct 3 2017
285a123c904dUlf R. Pedersen/GitHub
Update fix_rhok.cpp 
Sep 28 2017
0f52dd7c5f29Ulf R. Pedersen/GitHub
Update fix_rhok.h 
Sep 28 2017
67e48264d980Ulf R. Pedersen/GitHub
Update fix_rhok.cpp 
Sep 28 2017
4e1eeca869deUlf R. Pedersen/GitHub
Update fix_rhok.cpp 
Sep 28 2017
2fda04197201Ulf R. Pedersen/GitHub
Update fix_rhok.cpp 
Sep 28 2017
88a882b4575dUlf R. Pedersen
Added reference to fix rhok implimentation 
Sep 25 2017
4beccf508f9cUlf R. Pedersen
Move fix to USER-MISH 
Sep 25 2017
78a486c0fdfeJulien Devemy
Authorize hybrid/overlay for fix srp 
Sep 25 2017
99e5dc710461Axel Kohlmeyer
add support for fix_modify virial yes to fix smd 
Sep 15 2017
c80203cb0115Steve Plimpton/GitHub
Merge pull request #641 from lammps/doc-tweak 
Sep 6 2017
dec1d7b2dc48Axel Kohlmeyer
re-indent so that gcc no longer complains about inconsistent indentation 
Sep 5 2017
397bc225b27cAxel Kohlmeyer
add temper/npt to src/USER-MISC/README 
Aug 31 2017
eba4be18c29aAxel Kohlmeyer
adapt formatting and naming conventions to fully match LAMMPS style. allow… 
Aug 31 2017
d0efd3a422abAmulya/GitHub
Add files via upload 
Aug 28 2017
00474ab09dcdAxel Kohlmeyer
handle one more case where allowing shifted potential with cutoff 0.0 would… 
Jul 21 2017
4ec07422f07cAxel Kohlmeyer
avoid division by zero when using cutoff 0.0 with pair_modify shift yes 
Jul 15 2017
d3a45f6d5057sjplimp/GitHub
Merge pull request #560 from aershadinia/master 
Jul 13 2017
6eddc1a2ee77Axel Kohlmeyer
coding style and whitespace cleanup to match LAMMPS style 
Jul 5 2017
9fa4588eb720Abdoreza Ershadinia/GitHub
fixed a typo 
Jul 5 2017
8e279d4ec84eAbdo
Examples moved 
Jul 5 2017
ffa906de6ff6Axel Kohlmeyer
add C++ format identifiers to .h files 
Jun 20 2017
cccf72a21d6aAxel Kohlmeyer
make certain class member list is initialized to NULL before assigned to a… 
Jun 20 2017
9aa450b83240sjplimp/GitHub
Merge pull request #528 from akohlmey/no_static_in_ring_comm 
Jun 15 2017
d3c90f3c14ddsjplimp/GitHub
Merge pull request #510 from akohlmey/collected-small-changes 
Jun 15 2017
0a6b3f87901csjplimp/GitHub
Merge pull request #527 from dstelter92/master 
Jun 15 2017
fcc387f23201Axel Kohlmeyer
change ring communication API to no longer require a static variable pointing… 
Jun 14 2017
0ad66ecb89dcdstelter92
Added compute_scalar to fix_grem for easier output managment, updated example… 
Jun 14 2017
8f18c284d312Axel Kohlmeyer
add crude check to print warning when using compute cnp/atom on multi-type… 
Jun 10 2017
06915162b069Axel Kohlmeyer
whitespace cleanup 
Jun 10 2017
a849f35dcdd3Axel Kohlmeyer
adjust compute cnp/atom to match the documentation. need to skip atoms not in… 
Jun 10 2017
a2edef7c9c3eAxel Kohlmeyer
local variable fp in pair style eam/cd was shadowing class member. renamed… 
Jun 7 2017
1f9504c54622Axel Kohlmeyer
some more bookkeeping updates triggered by the lj/sf style removal 
Jun 6 2017
5cb56796a22fAxel Kohlmeyer
alias pair style lj/sf to lj/smooth/linear and remove/update related files 
Jun 6 2017
85e917ae5200Axel Kohlmeyer
integrate compute cnp/atom contributed by Paulo Branicio (USC) 
May 31 2017
b28ecd44c25dSteve Plimpton
update docs before patch release 
May 18 2017
cb3344a33715sjplimp/GitHub
Merge pull request #489 from akohlmey/thread-safe-biasing 
May 18 2017
5d38cbbce9c6sjplimp/GitHub
Merge pull request #487 from akohlmey/pair_edip_multi_element 
May 18 2017
30babd81570fsjplimp/GitHub
Merge pull request #485 from akohlmey/pair_settings_cut_bugfix 
May 18 2017
aa09f45b7e1esjplimp/GitHub
Merge pull request #484 from akohlmey/add-gao-weber-styles 
May 18 2017
4b1914aa1f29Axel Kohlmeyer
update citations for multi-element edip potential 
May 18 2017
278b9f7fba47Axel Kohlmeyer
move pair gw and gw/zbl to USER-MISC package 
May 17 2017
d2810f9f8372Axel Kohlmeyer
port thread-safe temperature biasing from LAMMPS-ICMS 
May 17 2017
35e92733e9daAxel Kohlmeyer
import multi-element compatible pair style edip as edip/multi 
May 16 2017
51fc386e7224Axel Kohlmeyer
correct the inner loop range for resetting cutoffs when redefining a pair style 
May 16 2017
6aa0250bc58fAxel Kohlmeyer
corrections to pair style morse/smooth/linear contributed by David R. Heine 
May 13 2017
deff6ffaac3bsjplimp/GitHub
Merge pull request #466 from DallasTrinkle/meam-spline-multicomponent 
May 11 2017
390ceb1475a7Axel Kohlmeyer
whitespace cleanup 
May 9 2017
6c5edf6c709eAxel Kohlmeyer
performance improvement through avoiding function call and dereference overhead 
May 9 2017
9cd994f57c70Axel Kohlmeyer
fix issues with potential file parser 
May 9 2017
42531389df27DallasTrinkle
Cleanup of style (removing all tabs, shortened long lines). 
May 4 2017
f7230006fef4DallasTrinkle
OpenMP version added. 
May 4 2017
754b40cb3100DallasTrinkle
Removed unused functions. 
May 4 2017
ffdc8b556d00DallasTrinkle
Cleanup. 
May 4 2017
5accce976a13DallasTrinkle
Cleanup. 
May 4 2017
349c1443a1c0DallasTrinkle
Cleanup. 
May 4 2017
2f71245d8277DallasTrinkle
Removed extra "helper" functions. 
May 4 2017
480727815a89DallasTrinkle
Starting to refactor in preparation to contruct OMP version. 
May 4 2017
45187a0fc77eDallasTrinkle
Fix system header #include style. 
May 4 2017
7409c6d78132DallasTrinkle
Cleaned up atom->x and atom->f deferences. 
May 3 2017
11cb0212b7faDallasTrinkle
Cleanup: two space indent + no trailing spaces on lines. 
May 3 2017
50c7234f2690DallasTrinkle
Fix to communication for mpi. Tested, and now working correctly with MPI. 
May 2 2017
f58fc9488f89DallasTrinkle
Fixed neighbor list building that caused error in parallel runs with… 
May 2 2017
408cc198854cDallasTrinkle
Fix for seg fault. 
May 2 2017
c76d27373ecdDallasTrinkle
Another fix for seg fault in parallel allocation. 
May 2 2017
fb08dc09f3b3DallasTrinkle
Small error in elements allocation causing seg. fault for parallel runs; fixed. 
May 1 2017
8cc844136709DallasTrinkle
Cleanup on pair_meam_spline.cpp 
Apr 28 2017
7d9670bc6c48DallasTrinkle
Addition of potential, code modifications to incorporate multicomponent spline… 
Apr 28 2017
ddc1e4e86ea7Axel Kohlmeyer
detect and refuse to run pair style srp together with fix rigid 
Apr 25 2017
481927ff16edAxel Kohlmeyer
correct 'thrid' instead of 'third' 
Apr 17 2017
d6357420ae18Axel Kohlmeyer
propagate global package installation bugfix to explicit package scripts 
Apr 7 2017
394e9b42b06aSteve Plimpton
new CHARMM pair styles with force swithing/shifting 
Mar 24 2017
568b67eee9cbAxel Kohlmeyer
include citation for reference paper into pair style momb 
Mar 23 2017
343c9eda82d3Tonnam Balankura
change zhou to momb in src/USER-MISC/README 
Mar 23 2017
df8dbec67653Tonnam Balankura
rename pair_zhou to pair_momb in src and change class name from PairZhou to… 
Mar 23 2017
daae76c46505Tonnam Balankura
Add names Tonnam and Ya to README 
Mar 22 2017
1ea9a14121caTonnam Balankura
Add Tonnam and Ya names 
Mar 22 2017
dc1d93a49108Axel Kohlmeyer
some more whitespace cleanup 
Mar 22 2017
43f27250b5a5Axel Kohlmeyer
Merge branch 'add-pair-zhou' of https://github.com/tonnamb/lammps into pull-417 
Mar 22 2017
5b842f0010a7dstelter92
Teff and exchange bugfix, as per Greg Dignon to match python examples 
Mar 20 2017
2ab77caa8bedTonnam Balankura
adapt to LAMMPS coding style 
Mar 19 2017
da81531906d3Tonnam Balankura
move pair_zhou to USER-MISC and update USER-MISC/README 
Mar 19 2017
1995f434f3d3Axel Kohlmeyer
fix some more code formatting issues, add newline at EOF 
Mar 16 2017
bdb7669e2742lukin17
Fixed coding style. 
Mar 16 2017
c3ce3747e049lukin17
Added fix filter/corotate. 
Mar 15 2017
2ef713ea1b49Axel Kohlmeyer
restore incorrect change due to spell checking in fix imd 
Mar 8 2017
920641bbffbcsjplimp/GitHub
Merge pull request #399 from rbberger/docs_spelling_fixes 
Mar 7 2017
4af6557568e7sjplimp/GitHub
Merge pull request #394 from jaapkroe/kolmogorov-crespi 
Mar 7 2017
3a054d1a82b2Richard Berger
Fix more typos in src files 
Mar 7 2017
7dd60f97377aRichard Berger
Fix typos in src files 
Mar 6 2017
8a0e44db83deJaap Kroes
updated documentation and ev_tally 
Mar 1 2017
3605208a45bbAxel Kohlmeyer
add a few more missing details for integrating pair style kolmogorov/crespi/z 
Feb 28 2017
323570c92036Jaap Kroes
added jpg for kolmogorov-crespi-z equations and fixed hybrid/overlay check in… 
Feb 28 2017
df13a7a00382Jaap Kroes
email added 
Feb 28 2017
a1b40b902d3eJaap Kroes
Added Kolmogorov-Crespi potential 
Feb 28 2017
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