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Diffusion lammps (lammps-icms) Graph

lammps/src
lammps-icms

History Graph

CommitAuthorDetailsCommitted
fcaaf2e2ced5Axel Kohlmeyer
more files to ignore 
Feb 3 2013
58d375dda361Axel Kohlmeyer
add OpenMP versions of recently added bonded styles 
Feb 3 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
f2af680fdba9Axel Kohlmeyer
fix off-by-one bug 
Feb 3 2013
225d792ce991Axel Kohlmeyer
make package management scripts more steve-friendly 
Feb 3 2013
1fa419fa8553Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Feb 3 2013
f0c4f5680bcbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9394 f3b2605a-c512-4ea7… 
Feb 1 2013
f8859b275dfcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9391 f3b2605a-c512-4ea7… 
Feb 1 2013
e4eb1da5f7f1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9390 f3b2605a-c512-4ea7… 
Feb 1 2013
b9e6cda7930dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9382 f3b2605a-c512-4ea7… 
Feb 1 2013
69a209f09da2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9380 f3b2605a-c512-4ea7… 
Feb 1 2013
9b7bd3e8928asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9379 f3b2605a-c512-4ea7… 
Feb 1 2013
a1433bf82c8bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9378 f3b2605a-c512-4ea7… 
Feb 1 2013
5970c961619eAxel Kohlmeyer
clear allocated storage 
Feb 1 2013
bdd81705ccd2Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Feb 1 2013
d7962731c901Axel Kohlmeyer
make msm/omp compatible with broken OpenMP in gcc 4.2 
Feb 1 2013
0b779e30baa6Axel Kohlmeyer
refactoring of dihedral_style table. 
Feb 1 2013
eb92fdb7e53esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9375 f3b2605a-c512-4ea7… 
Feb 1 2013
33fab0ee6228sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9373 f3b2605a-c512-4ea7… 
Feb 1 2013
8be0384eaba3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9372 f3b2605a-c512-4ea7… 
Feb 1 2013
b8d27cd38cdbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9371 f3b2605a-c512-4ea7… 
Feb 1 2013
7ad05e6dab61sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9370 f3b2605a-c512-4ea7… 
Feb 1 2013
583ba721da59sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9366 f3b2605a-c512-4ea7… 
Feb 1 2013
bde38bc21709sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9350 f3b2605a-c512-4ea7… 
Jan 31 2013
b648f55b2da1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9347 f3b2605a-c512-4ea7… 
Jan 31 2013
0c6b84987cf3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9346 f3b2605a-c512-4ea7… 
Jan 31 2013
eaada48ec1bbAxel Kohlmeyer
default to 1 thread if OMP_NUM_THREADS is not set and make setting consistent… 
Jan 31 2013
e040273d4a4fAxel Kohlmeyer
bugfix for hybrid pair styles. 
Jan 29 2013
222322ed1b98Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jan 26 2013
d5de73bf9871sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9343 f3b2605a-c512-4ea7… 
Jan 26 2013
e1c13c52caaasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9342 f3b2605a-c512-4ea7… 
Jan 26 2013
61035d81382asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9339 f3b2605a-c512-4ea7… 
Jan 25 2013
e635e5c0bbd1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9338 f3b2605a-c512-4ea7… 
Jan 25 2013
a746399e0206sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9335 f3b2605a-c512-4ea7… 
Jan 25 2013
7a1238eef4e6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9334 f3b2605a-c512-4ea7… 
Jan 25 2013
c799bb03d545sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9333 f3b2605a-c512-4ea7… 
Jan 25 2013
807f72a6b076sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9332 f3b2605a-c512-4ea7… 
Jan 25 2013
3d5cc59bc650sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9325 f3b2605a-c512-4ea7… 
Jan 25 2013
e55477249963sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9322 f3b2605a-c512-4ea7… 
Jan 25 2013
8a00b0e000e6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9321 f3b2605a-c512-4ea7… 
Jan 25 2013
97fe7ba73502sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9313 f3b2605a-c512-4ea7… 
Jan 24 2013
a4bc5aa73a55sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9312 f3b2605a-c512-4ea7… 
Jan 24 2013
c7a34efd4b15Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jan 24 2013
30246e8dae99pscrozi
Adding in Axel's special math functions that give about 2% speed-up on the… 
Jan 24 2013
43834891f189Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jan 23 2013
d20a395d4df9pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9310 f3b2605a-c512-4ea7… 
Jan 22 2013
f0d36d98e96cpscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9309 f3b2605a-c512-4ea7… 
Jan 22 2013
cda07e598c0fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9308 f3b2605a-c512-4ea7… 
Jan 22 2013
5b1fe9d76389Axel Kohlmeyer
update /omp versions of brownian and lubricate pair styles for changes in… 
Jan 21 2013
af8189610001Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jan 21 2013
fd75622da330sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9303 f3b2605a-c512-4ea7… 
Jan 18 2013
35769609d95csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9301 f3b2605a-c512-4ea7… 
Jan 18 2013
746deead15bfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9300 f3b2605a-c512-4ea7… 
Jan 18 2013
2d6d2de507ffsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9299 f3b2605a-c512-4ea7… 
Jan 18 2013
aa62e9b38983sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9297 f3b2605a-c512-4ea7… 
Jan 18 2013
7866cd6a293bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9295 f3b2605a-c512-4ea7… 
Jan 18 2013
e1709a44891dAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jan 18 2013
9639777677b4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9291 f3b2605a-c512-4ea7… 
Jan 17 2013
78aaed5f2215sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9290 f3b2605a-c512-4ea7… 
Jan 17 2013
9cd44aec3346sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9288 f3b2605a-c512-4ea7… 
Jan 17 2013
f867e83a7767sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9285 f3b2605a-c512-4ea7… 
Jan 17 2013
bd896f53f284sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9284 f3b2605a-c512-4ea7… 
Jan 17 2013
806b7d4ad344sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9282 f3b2605a-c512-4ea7… 
Jan 17 2013
c7de83772485sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9281 f3b2605a-c512-4ea7… 
Jan 17 2013
56a3ae0ecad6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9280 f3b2605a-c512-4ea7… 
Jan 17 2013
b078dc5e0bebsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9279 f3b2605a-c512-4ea7… 
Jan 17 2013
2cc946fdb5basjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9275 f3b2605a-c512-4ea7… 
Jan 17 2013
c0c44e028305Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jan 17 2013
d39910bd4cf5Axel Kohlmeyer
fix bug in energy accounting for hybrid pair styles 
Jan 16 2013
71850a151844Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jan 16 2013
0c292ed53383athomps
Initialized force in default single() 
Jan 15 2013
b95500d33047athomps
Changed pre_exchange flag 
Jan 15 2013
5b513be37e3eAxel Kohlmeyer
fix another typo from cut-n-paste 
Jan 15 2013
8ddab3b7db97Axel Kohlmeyer
fix typo 
Jan 15 2013
7da6e7cd1ab7Axel Kohlmeyer
remove unused variable definitions 
Jan 15 2013
afaae2555570Axel Kohlmeyer
flatten outer loop and use more specific template arguments 
Jan 15 2013
984333c11297Axel Kohlmeyer
merge in improvements from stan moore 
Jan 15 2013
0c29ff163492Axel Kohlmeyer
undo bogus bugfix 
Jan 15 2013
94a21c0d3d36sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9272 f3b2605a-c512-4ea7… 
Jan 15 2013
be809bbd2116Axel Kohlmeyer
turn all evflag components into template parameters 
Jan 14 2013
bf35e0cdc30eAxel Kohlmeyer
make gamma and dgamma inline functions for extra speed. 
Jan 14 2013
26877613a9dfAxel Kohlmeyer
we need to provide MSMOMP::compute() as well, to call reduce_thr(). 
Jan 14 2013
d81a3671db8bAxel Kohlmeyer
small serial optimizations 
Jan 14 2013
bb65b1c96d12Axel Kohlmeyer
added msm/omp style 
Jan 14 2013
4f2bdac177d6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9271 f3b2605a-c512-4ea7… 
Jan 14 2013
4c71fc231141sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9270 f3b2605a-c512-4ea7… 
Jan 14 2013
f9d7ef4d38caAxel Kohlmeyer
add /omp versions of MSM compatible pair styles 
Jan 14 2013
a2d955da5cb2Axel Kohlmeyer
there is no coulomb switching with long-range. 
Jan 14 2013
bf7d8848022dAxel Kohlmeyer
used double precision FFT for MSM support 
Jan 14 2013
25092cfc299dAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jan 14 2013
1087ef306e59sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9267 f3b2605a-c512-4ea7… 
Jan 12 2013
1fbdf607572dpscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9265 f3b2605a-c512-4ea7… 
Jan 12 2013
2bd231c5637esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9264 f3b2605a-c512-4ea7… 
Jan 11 2013
4277a7d8e6e7pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9263 f3b2605a-c512-4ea7… 
Jan 11 2013
a6eb6e4f8486sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9261 f3b2605a-c512-4ea7… 
Jan 11 2013
bad59e0fca35sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9260 f3b2605a-c512-4ea7… 
Jan 11 2013
37849c807e75sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9259 f3b2605a-c512-4ea7… 
Jan 11 2013
e66eccef5f4apscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9258 f3b2605a-c512-4ea7… 
Jan 10 2013
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