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Diffusion lammps (lammm-master-deprecated) Graph

lammps/src
lammm-master-deprecated

History Graph

CommitAuthorDetailsCommitted
f58ea4fdc0a6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12267 f3b2605a-c512-4ea7… 
Aug 7 2014
ad4d9d88b873Axel Kohlmeyer
include optimized matrix-matrix multiplication 
Aug 7 2014
edb0fc0def5esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12263 f3b2605a-c512-4ea7… 
Aug 7 2014
0e4940441e55sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12262 f3b2605a-c512-4ea7… 
Aug 6 2014
2861c9dfd304sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12261 f3b2605a-c512-4ea7… 
Aug 6 2014
ce4bea7aac5cAxel Kohlmeyer
replace unsigned long with int and simplify C reinit. 
Aug 6 2014
231e0f2383deAxel Kohlmeyer
use LAMMPS internal number parsing with error handling 
Aug 6 2014
2f8e551ce1a3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12260 f3b2605a-c512-4ea7… 
Aug 6 2014
bec3e6224173sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12259 f3b2605a-c512-4ea7… 
Aug 6 2014
3e41b24e065dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12258 f3b2605a-c512-4ea7… 
Aug 6 2014
d0a2f7f57a72sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12257 f3b2605a-c512-4ea7… 
Aug 6 2014
6bd64d5aabc7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12256 f3b2605a-c512-4ea7… 
Aug 6 2014
f50d366df70bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12255 f3b2605a-c512-4ea7… 
Aug 6 2014
583c7de117b3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12254 f3b2605a-c512-4ea7… 
Aug 6 2014
2cca37351548sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12253 f3b2605a-c512-4ea7… 
Aug 6 2014
e16fe9807f21Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 6 2014
a9495cb7f06bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12252 f3b2605a-c512-4ea7… 
Aug 6 2014
cb9c3fbd11c6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12251 f3b2605a-c512-4ea7… 
Aug 6 2014
c61878282fadsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12250 f3b2605a-c512-4ea7… 
Aug 6 2014
17db9f469bccAxel Kohlmeyer
fix segfault when reading multi-file restarts 
Aug 5 2014
a67fb36bab47Axel Kohlmeyer
add test for invalid box dimension to demystify PPPM out of range errors 
Aug 5 2014
1be31f63ceb6Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 5 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
f5fa324eb662Axel Kohlmeyer
Merge branch 'lammps-icms' into cle-orig 
Aug 5 2014
cbed68e0e6d7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12249 f3b2605a-c512-4ea7… 
Aug 5 2014
3a6c9b21e595Axel Kohlmeyer
properly account for added topology data 
Aug 4 2014
526bddbf2b1eAxel Kohlmeyer
give visual feedback for molecule properties with molecule command 
Aug 4 2014
006f747f27a3Axel Kohlmeyer
remove redundant TIP4P check and signal if TIP4P is used PPPM 
Aug 4 2014
c46d3db5b8faAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 4 2014
664c2b605b33sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12246 f3b2605a-c512-4ea7… 
Aug 2 2014
a12cc9cce8a2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12245 f3b2605a-c512-4ea7… 
Aug 2 2014
4f945993d550sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12243 f3b2605a-c512-4ea7… 
Aug 2 2014
0ee504a737acsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12242 f3b2605a-c512-4ea7… 
Aug 2 2014
b7814379a5besjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12241 f3b2605a-c512-4ea7… 
Aug 1 2014
4fbebcc31dd0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12240 f3b2605a-c512-4ea7… 
Aug 1 2014
5ac9e9a785b9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12239 f3b2605a-c512-4ea7… 
Aug 1 2014
df5c028ad4c1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12238 f3b2605a-c512-4ea7… 
Aug 1 2014
3dace181b778sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12237 f3b2605a-c512-4ea7… 
Aug 1 2014
8b6dd56190fcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12235 f3b2605a-c512-4ea7… 
Jul 31 2014
ce0827c3d970Axel Kohlmeyer
correct logic bug in pppm+tip4p pair style settings 
Jul 31 2014
f3a3c6150610Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 31 2014
b95497e8a91bAxel Kohlmeyer
Merge branch 'lammps-icms' into cle-orig 
Jul 30 2014
e8dd5814f3dasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12233 f3b2605a-c512-4ea7… 
Jul 30 2014
fe1ade5fad2bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12231 f3b2605a-c512-4ea7… 
Jul 30 2014
f4fe83b3bad1Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 30 2014
f6c15d997d22sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12230 f3b2605a-c512-4ea7… 
Jul 30 2014
24c998240644sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12229 f3b2605a-c512-4ea7… 
Jul 30 2014
c5b40aaa90f8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12228 f3b2605a-c512-4ea7… 
Jul 30 2014
842ba3a22bcdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12227 f3b2605a-c512-4ea7… 
Jul 30 2014
e1adfe9db5c8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12225 f3b2605a-c512-4ea7… 
Jul 30 2014
22cecea979fdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12224 f3b2605a-c512-4ea7… 
Jul 30 2014
8047d6058eb4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12223 f3b2605a-c512-4ea7… 
Jul 29 2014
4666da3f481bAxel Kohlmeyer
anticipate changes from upstream to fix compilation error for MPI STUBS 
Jul 29 2014
e4abe8ee03aesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12222 f3b2605a-c512-4ea7… 
Jul 29 2014
526895f7efecAxel Kohlmeyer
fix issues flagged by compiler warnings. 
Jul 29 2014
909a9ff697e2Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 29 2014
7cd0d58e8561sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12221 f3b2605a-c512-4ea7… 
Jul 29 2014
e4915201dfccsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12219 f3b2605a-c512-4ea7… 
Jul 29 2014
3a8d10eb2f55sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12217 f3b2605a-c512-4ea7… 
Jul 29 2014
2b9a3e843784sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12215 f3b2605a-c512-4ea7… 
Jul 29 2014
d44b041d625fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12214 f3b2605a-c512-4ea7… 
Jul 29 2014
33fe209a823bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12213 f3b2605a-c512-4ea7… 
Jul 29 2014
7bce80b07e2asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12212 f3b2605a-c512-4ea7… 
Jul 29 2014
0198cc71a958sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12211 f3b2605a-c512-4ea7… 
Jul 29 2014
47de24ac4c5dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12210 f3b2605a-c512-4ea7… 
Jul 29 2014
bab8ac74a001sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12209 f3b2605a-c512-4ea7… 
Jul 28 2014
65a76deb45b1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12208 f3b2605a-c512-4ea7… 
Jul 28 2014
4455b66003cesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12207 f3b2605a-c512-4ea7… 
Jul 28 2014
2162e6d62e97sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12203 f3b2605a-c512-4ea7… 
Jul 28 2014
33d9ff4bf445sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12201 f3b2605a-c512-4ea7… 
Jul 28 2014
cf005551eafbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12200 f3b2605a-c512-4ea7… 
Jul 28 2014
3d8a65e85b0cAxel Kohlmeyer
Merge branch 'lammps-icms' into cle-orig 
Jul 25 2014
0ba44e7c26e7Axel Kohlmeyer
enforce using a tip4p compatible kspace style with tip4p pair style. 
Jul 25 2014
e0808bef81e2Axel Kohlmeyer
enabled using integer custom per atom data for dump_modify threshold 
Jul 25 2014
1a1857320fffAxel Kohlmeyer
handle custom atom properties in dump_modify properly 
Jul 25 2014
3082fd0bbbcdAxel Kohlmeyer
add support for custom properties to dump custom 
Jul 24 2014
512038de6fc6Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 24 2014
f01d9363e7c6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12197 f3b2605a-c512-4ea7… 
Jul 23 2014
6760d0dd572dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12196 f3b2605a-c512-4ea7… 
Jul 23 2014
20ddf0396d3bpscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12192 f3b2605a-c512-4ea7… 
Jul 22 2014
6640abfc6c4esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12189 f3b2605a-c512-4ea7… 
Jul 22 2014
6bb86c2d52besjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12188 f3b2605a-c512-4ea7… 
Jul 22 2014
1a2996c6a688sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12187 f3b2605a-c512-4ea7… 
Jul 22 2014
086522264fc9Axel Kohlmeyer
Merge branch 'lammps-icms' into cle-orig 
Jul 22 2014
b2cb1b35728aAxel Kohlmeyer
enable storing custom per atom properties in fix store/state 
Jul 22 2014
11c32cb8d488Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 14 2014
331fe9b10bffsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12182 f3b2605a-c512-4ea7… 
Jul 12 2014
8e9c910d8c28Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 11 2014
f89510ab8816pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12179 f3b2605a-c512-4ea7… 
Jul 11 2014
7e875a1ef355pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12177 f3b2605a-c512-4ea7… 
Jul 10 2014
33186b6ad4e2pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12176 f3b2605a-c512-4ea7… 
Jul 10 2014
b69c0f4ac5c3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12174 f3b2605a-c512-4ea7… 
Jul 9 2014
1c6cac8ae570Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 7 2014
ff01a109a186sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12171 f3b2605a-c512-4ea7… 
Jul 3 2014
934347e56584Axel Kohlmeyer
Merge branch 'lammps-icms' into cle-orig 
Jul 2 2014
a44e538ac67fAxel Kohlmeyer
transfer changes from upstream to USER-OMP version 
Jul 1 2014
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