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Diffusion lammps (lammm-master-deprecated) Graph

lammps/src/USER-MISC
lammm-master-deprecated

History Graph

CommitAuthorDetailsCommitted
ca6b61d07f79Axel Kohlmeyer
remove definitions obsoleted by changes to lmptype.h 
Aug 23 2014
dbc55a403f74Axel Kohlmeyer
overhaul of fix ipi to be more consistent with LAMMPS programming conventions 
Aug 12 2014
e2352387fb51Axel Kohlmeyer
some clarification of domain socket name. ifdef out include files on windows 
Aug 12 2014
76a61445d880Axel Kohlmeyer
add fix ipi for path integrals via python frontend 
Aug 11 2014
2d5428bee038Axel Kohlmeyer
minor corrections to GLE code from michele ceriotti 
Aug 11 2014
4a197537c015Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 7 2014
ad4d9d88b873Axel Kohlmeyer
include optimized matrix-matrix multiplication 
Aug 7 2014
ce4bea7aac5cAxel Kohlmeyer
replace unsigned long with int and simplify C reinit. 
Aug 6 2014
2cca37351548sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12253 f3b2605a-c512-4ea7… 
Aug 6 2014
57b8a339eb7eAxel Kohlmeyer
clean up reading of C matrix and fix missing scaling bug 
Aug 5 2014
8821eb0518c9Axel Kohlmeyer
cleaned up code some. doesn't seem to fully work yet. 
Aug 5 2014
2056624858dfAxel Kohlmeyer
remove trailing whitespace 
Aug 5 2014
5e98c4a3e617Axel Kohlmeyer
some simple cleanup and correction to C++ style and syntax 
Aug 5 2014
ff3961492620Axel Kohlmeyer
import updated GLE fix from michele ceriotti 
Aug 5 2014
29ae4bd8dc3dAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 1 2014
026ff1f6dd4fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12144 f3b2605a-c512-4ea7… 
Jun 27 2014
4acacd8e3b18Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 8 2014
53db68362ec1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11935 f3b2605a-c512-4ea7… 
May 7 2014
8bee4ef5966asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11907 f3b2605a-c512-4ea7… 
May 2 2014
0fbda306f930Axel Kohlmeyer
next batch of code cleanup based on compiler warnings 
Apr 30 2014
f461504c9398sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11829 f3b2605a-c512-4ea7… 
Apr 18 2014
9374001aadd4Axel Kohlmeyer
next batch of unused variable removal 
Apr 16 2014
492e027896e6Axel Kohlmeyer
some more cleanups based on warnings from newer gcc 
Apr 16 2014
1fac1d41fa78sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11789 f3b2605a-c512-4ea7… 
Apr 15 2014
d7bbb795fff0Axel Kohlmeyer
spelling fix 
Apr 12 2014
323e3075c413Axel Kohlmeyer
remove even more unused variables and have consistent initialization 
Apr 12 2014
09168613150esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11777 f3b2605a-c512-4ea7… 
Apr 11 2014
5fcfc9f575fcAxel Kohlmeyer
various little cleanups to silence compiler warnings 
Apr 10 2014
eabcf5cd7dbdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11732 f3b2605a-c512-4ea7… 
Apr 7 2014
9ca0fa9029beAxel Kohlmeyer
make pair style tersoff/table/omp thread safe 
Apr 5 2014
0de9e4252ba7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11701 f3b2605a-c512-4ea7… 
Apr 4 2014
573db9e2f7e7Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 12 2014
61af28265478Axel Kohlmeyer
move open_potential() from pair.cpp to force.cpp and extend to bonds/angles 
Feb 14 2014
1a8ee73f0abcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11561 f3b2605a-c512-4ea7… 
Feb 13 2014
7b433cf7a21eAxel Kohlmeyer
add a few more cases that should recognize $LAMMPS_POTENTIALS 
Feb 12 2014
10fb1ebdeda6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11420 f3b2605a-c512-4ea7… 
Jan 31 2014
2a59bed5aaacAxel Kohlmeyer
cosmetic changes 
Jan 31 2014
1ba04dabf6c9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11393 f3b2605a-c512-4ea7… 
Jan 30 2014
f709b5d63a57sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11283 f3b2605a-c512-4ea7… 
Jan 21 2014
04dc30ab860bAxel Kohlmeyer
adapt fix imd so it compiles with -DLAMMPS_BIGBIG 
Jan 21 2014
46e8e6c12078Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 18 2014
cb1ad361fbf0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11256 f3b2605a-c512-4ea7… 
Jan 17 2014
bad19033d015sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7… 
Jan 17 2014
a6ca3cab542cAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 17 2014
a1ef01fc1ae2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7… 
Jan 14 2014
968623d245c7Axel Kohlmeyer
add fix that allows only one direction of velocities in a given region. 
Jan 10 2014
5b0c62a2a066Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Nov 26 2013
8fb13f467195sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11055 f3b2605a-c512-4ea7… 
Nov 25 2013
1f844fd910e9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11054 f3b2605a-c512-4ea7… 
Nov 25 2013
6822a592c89aAxel Kohlmeyer
fix bug in write_data 
Nov 24 2013
356e22265490Axel Kohlmeyer
bufixes for angle style quartic 
Nov 23 2013
9014ad6c11b9Axel Kohlmeyer
add write data for harmonic/shift styles 
Nov 23 2013
555ef3397d04Axel Kohlmeyer
fix permissions of source files 
Nov 9 2013
2e8da581f283Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Nov 9 2013
05649f118942sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10987 f3b2605a-c512-4ea7… 
Nov 7 2013
968038bd4d37Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Nov 7 2013
faff0eb70bc8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10985 f3b2605a-c512-4ea7… 
Nov 6 2013
dc1278ee51e6Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Nov 5 2013
b0064e507cdfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10957 f3b2605a-c512-4ea7… 
Nov 4 2013
cad4e3266db9Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Oct 31 2013
a8ef38ce7d14sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10881 f3b2605a-c512-4ea7… 
Oct 29 2013
9251edb746edAxel Kohlmeyer
hashtable lookup bugfix 
Oct 6 2013
89d315e2c609sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10821 f3b2605a-c512-4ea7… 
Sep 23 2013
14f5763c2eadAxel Kohlmeyer
fix file pointer scoping bug 
Sep 21 2013
9550535392c7Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jul 27 2013
f086c6d5fbafsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10417 f3b2605a-c512-4ea7… 
Jul 26 2013
9d6ebaff211dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10410 f3b2605a-c512-4ea7… 
Jul 26 2013
a019c5cb581asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10408 f3b2605a-c512-4ea7… 
Jul 26 2013
0bdf6303cba1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10406 f3b2605a-c512-4ea7… 
Jul 26 2013
1bc62d40b215Axel Kohlmeyer
more mostly cosmetic issues found by clang 
Jul 24 2013
7e3328a2a717Axel Kohlmeyer
remove unused variables and class members, initialize where needed. 
Jul 18 2013
eeca24f30d35Axel Kohlmeyer
cleanup based on clang warnings 
Jul 14 2013
7887ffed73b3Axel Kohlmeyer
remove unused variables 
Jul 13 2013
f6b6aae21b6asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10201 f3b2605a-c512-4ea7… 
Jun 29 2013
a22353de08beAxel Kohlmeyer
add USER-OMP support for new nb3/harmonic pair potential 
Jun 29 2013
c7183e199aadAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jun 29 2013
b6e02421da2asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10186 f3b2605a-c512-4ea7… 
Jun 29 2013
ffa72cdd1023sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10182 f3b2605a-c512-4ea7… 
Jun 28 2013
699154de4221sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10181 f3b2605a-c512-4ea7… 
Jun 28 2013
f37ae6cb7476sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7… 
Jun 28 2013
737e5e6c3dfdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10150 f3b2605a-c512-4ea7… 
Jun 28 2013
1c337c837cacAxel Kohlmeyer
permission cleanup 
Jun 28 2013
2b1e3a30bd1aAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jun 28 2013
0d55ad722b2fAxel Kohlmeyer
undo manybody check in anticipation of steve's modified version. 
Jun 27 2013
b92fa00337d0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10104 f3b2605a-c512-4ea7… 
Jun 27 2013
2dbe3f80a2e8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10103 f3b2605a-c512-4ea7… 
Jun 27 2013
e0211874ac3csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10101 f3b2605a-c512-4ea7… 
Jun 27 2013
cf7f34401c35Axel Kohlmeyer
teach pair potentials to open potential files via open_potential() 
Jun 27 2013
0e045500433fAxel Kohlmeyer
massive patch to flag non-numeric input 
Jun 23 2013
c43fe0a6f69cAxel Kohlmeyer
idiot-proof defining bonds with manybody potentials 
Jun 17 2013
bbcc5a10013eAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jun 12 2013
85b3d1f12256sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10070 f3b2605a-c512-4ea7… 
Jun 11 2013
e240e15c4d5fAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 9 2013
2a3686c20105sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10054 f3b2605a-c512-4ea7… 
Jun 8 2013
00fe31ddd407sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10052 f3b2605a-c512-4ea7… 
Jun 8 2013
c9710e0c20adAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jun 7 2013
b1e4e5593be6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10032 f3b2605a-c512-4ea7… 
Jun 6 2013
f68c9e83860aAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jun 5 2013
12ce90776f0dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10023 f3b2605a-c512-4ea7… 
Jun 4 2013
88d49ad3e9cbAxel Kohlmeyer
more meaningful error location for numerical parsing checks 
Jun 4 2013
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