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Diffusion lammps (lammm-master-deprecated) Graph

lammps/src
lammm-master-deprecated

History Graph

CommitAuthorDetailsCommitted
d4e1503e81fbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12429 f3b2605a-c512-4ea7… 
Sep 6 2014
af21769abebfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12425 f3b2605a-c512-4ea7… 
Sep 6 2014
f29fa0abfb99sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12417 f3b2605a-c512-4ea7… 
Sep 5 2014
f05bbe48ae12sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12416 f3b2605a-c512-4ea7… 
Sep 5 2014
ed06a4859ee3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12413 f3b2605a-c512-4ea7… 
Sep 5 2014
2a24e947f5d1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12412 f3b2605a-c512-4ea7… 
Sep 5 2014
1fc5efe31e17sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12411 f3b2605a-c512-4ea7… 
Sep 5 2014
4a95e6911174sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12410 f3b2605a-c512-4ea7… 
Sep 5 2014
31509b75280esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12409 f3b2605a-c512-4ea7… 
Sep 5 2014
777e82995de2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12406 f3b2605a-c512-4ea7… 
Sep 5 2014
f6c0d4fec3e9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12405 f3b2605a-c512-4ea7… 
Sep 5 2014
fcc58a2b65f3Axel Kohlmeyer
another one-line fix for compiling USER-CUDA 
Sep 5 2014
c5b97753e28eAxel Kohlmeyer
try to fix USER-CUDA compile time error 
Sep 5 2014
cc2d0fa680c2Axel Kohlmeyer
import the latest USER-INTEL updates from mike brown 
Sep 5 2014
5eae3037f631Axel Kohlmeyer
workaround for occasional neighborlists with GPU pair_styles 
Sep 2 2014
5686267236dbAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 2 2014
e4cfa1863b97Axel Kohlmeyer
import GPU support fix for USER-FEP from trung 
Sep 1 2014
d01c12f754eesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12383 f3b2605a-c512-4ea7… 
Aug 29 2014
cb96e492e504Axel Kohlmeyer
make check for charge property consistent across the two reaxff implementations 
Aug 29 2014
5ce0ccaa23d9Axel Kohlmeyer
fix bug with inconsistent counting of deleted dihedrals. 
Aug 29 2014
5a518e74da82sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12382 f3b2605a-c512-4ea7… 
Aug 29 2014
954ff2528f64Axel Kohlmeyer
apply bugfix from sergey litvinov for image interface to jpg 
Aug 29 2014
7d7bcb158784Axel Kohlmeyer
write out disabled dihedral types similar to bond and others. 
Aug 29 2014
6568e9d33db8Axel Kohlmeyer
insert missing braces for correct logic when no logfile is used 
Aug 29 2014
8277217db6d2Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 28 2014
ead27110500esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12376 f3b2605a-c512-4ea7… 
Aug 27 2014
2f27eabe1be7Axel Kohlmeyer
anticipate changes from patches 27 & 28 Aug 2014 
Aug 27 2014
dc5ad107ada0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12373 f3b2605a-c512-4ea7… 
Aug 27 2014
71f5c17f676fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12368 f3b2605a-c512-4ea7… 
Aug 27 2014
d9f92faf40f2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12365 f3b2605a-c512-4ea7… 
Aug 27 2014
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
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