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Diffusion lammps (runner) Graph

lammps/src
runner

History Graph

CommitAuthorDetailsCommitted
d1e51c4359b3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12364 f3b2605a-c512-4ea7… 
Aug 27 2014
6661ee718f31sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12359 f3b2605a-c512-4ea7… 
Aug 27 2014
9b5124c54e3asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12358 f3b2605a-c512-4ea7… 
Aug 27 2014
d44d13505f09sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12355 f3b2605a-c512-4ea7… 
Aug 27 2014
bd0eaad6eca1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12353 f3b2605a-c512-4ea7… 
Aug 27 2014
9bae3ae731ccAxel Kohlmeyer
make USER-INTEL compileable with -DLAMMPS_BIGBIG 
Aug 26 2014
cf1d11af3a36Axel Kohlmeyer
re-enable suffix handling for hybrid atom style 
Aug 26 2014
a75f94345903Axel Kohlmeyer
make use of pragmas with _Pragma() portable to non intel/gcc compilers. 
Aug 26 2014
c0b4b4648595Axel Kohlmeyer
make use of restricted pointer consistent across OPT package. 
Aug 26 2014
df12210de315Axel Kohlmeyer
use $(INTEL_DIR) instead of fixed path 
Aug 26 2014
54576e2b35baAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 26 2014
b74fcc80ac13sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12350 f3b2605a-c512-4ea7… 
Aug 25 2014
80b02160f1ebsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12349 f3b2605a-c512-4ea7… 
Aug 25 2014
4ea728dc8007sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12348 f3b2605a-c512-4ea7… 
Aug 25 2014
6809f93138d3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12345 f3b2605a-c512-4ea7… 
Aug 25 2014
15ae2e3f5ec0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12344 f3b2605a-c512-4ea7… 
Aug 25 2014
a0fba99324bbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12341 f3b2605a-c512-4ea7… 
Aug 25 2014
1bef8ec3a4e9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12340 f3b2605a-c512-4ea7… 
Aug 25 2014
4ea7121035deAxel Kohlmeyer
remove obsolete preprocessor define 
Aug 24 2014
ca6b61d07f79Axel Kohlmeyer
remove definitions obsoleted by changes to lmptype.h 
Aug 23 2014
c21d4b97f53aAxel Kohlmeyer
make code safe to be compiled without OpenMP 
Aug 23 2014
918ace3e2877Axel Kohlmeyer
fix up compilation with alignment and restrict keyword 
Aug 23 2014
5cacfdbdf873Axel Kohlmeyer
we cannot build USER-INTEL for windows at the moment, since it doesn't support… 
Aug 19 2014
8bede8209837Axel Kohlmeyer
better and more correct check for using memory aligned malloc. 
Aug 19 2014
069ee603757bAxel Kohlmeyer
update settings so one can compile LAMMPS for windows with USER-INTEL 
Aug 19 2014
6080ba7dd706Axel Kohlmeyer
protect more intel compiler specific code with proper ifdefs 
Aug 19 2014
24717e500c7bAxel Kohlmeyer
bugfix for atom style suffix testing 
Aug 19 2014
2e5648e42c2fAxel Kohlmeyer
include missing timer stamps for MODIFY 
Aug 19 2014
14387fff2731Axel Kohlmeyer
more adjustments to make USER-INTEL compatible with gcc and LAMMPS-ICMS 
Aug 19 2014
bdfd99519dd9Axel Kohlmeyer
use macros for processor specific flags to set alignment or signal no aliasing 
Aug 19 2014
1172085ecd76Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 17 2014
c2bd9af8797fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12335 f3b2605a-c512-4ea7… 
Aug 15 2014
e3879a10483bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12332 f3b2605a-c512-4ea7… 
Aug 15 2014
f9814600231dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12331 f3b2605a-c512-4ea7… 
Aug 15 2014
7d6b59f9858dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12327 f3b2605a-c512-4ea7… 
Aug 15 2014
8831166f0df8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12321 f3b2605a-c512-4ea7… 
Aug 14 2014
3f6a8028678csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12320 f3b2605a-c512-4ea7… 
Aug 14 2014
af7d84de2d17sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12317 f3b2605a-c512-4ea7… 
Aug 14 2014
10dfed77c90dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12316 f3b2605a-c512-4ea7… 
Aug 14 2014
18a1c57b5688sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12315 f3b2605a-c512-4ea7… 
Aug 14 2014
b05729b9087fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12314 f3b2605a-c512-4ea7… 
Aug 14 2014
64bc87ab3a89sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12313 f3b2605a-c512-4ea7… 
Aug 14 2014
0f6eb0877ebcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12310 f3b2605a-c512-4ea7… 
Aug 14 2014
405a2fd48797sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12309 f3b2605a-c512-4ea7… 
Aug 14 2014
5c41d0ef6283Axel Kohlmeyer
update colvars module from git repo. 
Aug 13 2014
e47f92d13576Axel Kohlmeyer
use a simpler way to compute the absolute of an int. 
Aug 13 2014
73128e2283ecAxel Kohlmeyer
avoid segfaults in dump image and compute bond/local with atom style template 
Aug 13 2014
7cccda86e352Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 13 2014
dbc55a403f74Axel Kohlmeyer
overhaul of fix ipi to be more consistent with LAMMPS programming conventions 
Aug 12 2014
2cff5bfbad13sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12301 f3b2605a-c512-4ea7… 
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
1093ff46f185Axel Kohlmeyer
delete unused variables and reduce compiler warnings 
Aug 10 2014
4c79bce7f1cbAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 10 2014
0a782cc31dfbAxel Kohlmeyer
include faster adapted logarithm 
Aug 9 2014
eb0e123dbe93sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12294 f3b2605a-c512-4ea7… 
Aug 9 2014
b7e6d76f38a8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12286 f3b2605a-c512-4ea7… 
Aug 8 2014
c1e12f950867sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12285 f3b2605a-c512-4ea7… 
Aug 8 2014
fa56793bdc25Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 8 2014
cb8a838a6314Axel Kohlmeyer
remove changes left behind from GLE merge 
Aug 8 2014
9026afed5cf9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12284 f3b2605a-c512-4ea7… 
Aug 8 2014
1ff3afc54c4eathomps
Fixed double-counting of bonds and dihedrals for self-bonded atoms 
Aug 7 2014
9947eb748f3bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12281 f3b2605a-c512-4ea7… 
Aug 7 2014
1541a02bc6b7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12276 f3b2605a-c512-4ea7… 
Aug 7 2014
a049550eed6bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12275 f3b2605a-c512-4ea7… 
Aug 7 2014
3f3446e8ddedsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12274 f3b2605a-c512-4ea7… 
Aug 7 2014
4a197537c015Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 7 2014
fd5116990806sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12269 f3b2605a-c512-4ea7… 
Aug 7 2014
d8728db35a1csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12268 f3b2605a-c512-4ea7… 
Aug 7 2014
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
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