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Diffusion lammps (efficient_neuronet) Graph

lammps/src/USER-MISC
efficient_neuronet

History Graph

CommitAuthorDetailsCommitted
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
892ecf1ec466Axel Kohlmeyer
add error message help to list pair style header 
Jun 2 2013
ce2b853e4a11Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Jun 1 2013
5c37a4510e12sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9997 f3b2605a-c512-4ea7… 
May 31 2013
a5da3aa1ce77sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9987 f3b2605a-c512-4ea7… 
May 31 2013
daa2676ace36sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9949 f3b2605a-c512-4ea7… 
May 30 2013
fec27b72547dAxel Kohlmeyer
require an atom map for list pair style 
May 29 2013
7b7a41ef619fAxel Kohlmeyer
adapt cross-compilation to 32-bit windows for fedora 18 
May 17 2013
378a05b75b46Axel Kohlmeyer
make sure we have atom ids for pair style list 
May 16 2013
5deb90381460Axel Kohlmeyer
integrate list pair style into USER-MISC package. add docs 
May 16 2013
a4fe6a321eb7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9875 f3b2605a-c512-4ea7… 
May 13 2013
13b8aed7e964Axel Kohlmeyer
fix comment text 
May 13 2013
f2e9c170d57dAxel Kohlmeyer
add support for per atom mass 
May 13 2013
b210bf46cf94Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Apr 9 2013
0e96b5fd0b26sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9766 f3b2605a-c512-4ea7… 
Apr 9 2013
b6df7c873b33sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9764 f3b2605a-c512-4ea7… 
Apr 9 2013
438f28a33fa8Axel Kohlmeyer
pair style was added to MOLECULE in upstream 
Mar 8 2013
556facf70745Axel Kohlmeyer
fix author attribution 
Mar 5 2013
4be41208c17cAxel Kohlmeyer
add /omp version of lj/cut/tip4p/cut 
Mar 5 2013
872f4707451cAxel Kohlmeyer
rename lj/cut/coul/cut/tip4p to lj/cut/tip4p/cut 
Mar 5 2013
4276fda7efb2Axel Kohlmeyer
added pair style lj/cut/coul/cut/tip4p by wayne mitchell 
Mar 5 2013
3cd3e2febd37Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Feb 13 2013
bcab6e829a67sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9458 f3b2605a-c512-4ea7… 
Feb 13 2013
005af0243cebAxel Kohlmeyer
next try at having thread safe temperature bias removal/restoration 
Feb 10 2013
2b5425cec766sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9429 f3b2605a-c512-4ea7… 
Feb 9 2013
fe7c0cc3cc18Axel Kohlmeyer
bugfix for change in Bond::single() API 
Feb 9 2013
9ce4e5b12186sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9403 f3b2605a-c512-4ea7… 
Feb 8 2013
b01907cd9549Axel Kohlmeyer
more uses of special math functions 
Feb 5 2013
49690af8566dAxel Kohlmeyer
use special math functions 
Feb 4 2013
4e7863295cd3Axel Kohlmeyer
remove crazy workaround for scoping issues 
Feb 3 2013
91d9599607a6Axel Kohlmeyer
need to use fabs() and not abs() on doubles 
Feb 3 2013
f1065b0c7ba7Axel Kohlmeyer
no minimum image needed for dihedrals anymore 
Feb 3 2013
1fa419fa8553Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Feb 3 2013
9b7bd3e8928asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9379 f3b2605a-c512-4ea7… 
Feb 1 2013
0b779e30baa6Axel Kohlmeyer
refactoring of dihedral_style table. 
Feb 1 2013
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