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Diffusion lammps (lammps-icms) Graph

lammps/src
lammps-icms

History Graph

CommitAuthorDetailsCommitted
37d905578cf7pscrozi
Adding a domain remap after doing an MC particle move. This fixes a bug that… 
Jul 31 2012
f73d1bffe299Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jul 26 2012
b1bdd74f88acAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jul 26 2012
601fb2f9a1dfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8512 f3b2605a-c512-4ea7… 
Jul 25 2012
6bfa697ae200sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8500 f3b2605a-c512-4ea7… 
Jul 25 2012
52eba645ca8esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8499 f3b2605a-c512-4ea7… 
Jul 25 2012
47552d40335esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8498 f3b2605a-c512-4ea7… 
Jul 25 2012
912cfaca75dcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8497 f3b2605a-c512-4ea7… 
Jul 25 2012
5e52200ad3a8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8496 f3b2605a-c512-4ea7… 
Jul 25 2012
66f14edf6036sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8493 f3b2605a-c512-4ea7… 
Jul 24 2012
3d59bf016651sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8492 f3b2605a-c512-4ea7… 
Jul 24 2012
35e3d38972efsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8491 f3b2605a-c512-4ea7… 
Jul 24 2012
8b62babdddcfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8490 f3b2605a-c512-4ea7… 
Jul 24 2012
ec8e3ab3f247Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jul 18 2012
0d1ef8e3be57sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8489 f3b2605a-c512-4ea7… 
Jul 16 2012
701a5cc7ed63Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jul 13 2012
95e51c0cda17athomps
Added DELTATILT to box skew check 
Jul 10 2012
98977d765cd5pscrozi
Backing out recent changes (8479, 8480, and 8482) where 2 FFT version of PPPM… 
Jul 9 2012
549e7581971dAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jul 9 2012
cf16cc1dd2e7pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8482 f3b2605a-c512-4ea7… 
Jul 7 2012
c3774f876b1cAxel Kohlmeyer
workaround for upcoming pppm changes. 
Jul 6 2012
5c5f6d13a8f8Axel Kohlmeyer
undo local modification that has no impact 
Jul 6 2012
e62220fc1fa9Axel Kohlmeyer
change nthreads initialization to work around OpenMPI issues at sandi 
Jul 6 2012
193e63f44399pscrozi
Updating pppm_cuda.cpp to correspond with recent PPPM changes. 
Jul 6 2012
aa27b1b646f6pscrozi
Adding in 2 FFT version of PPPM for better scaling. This also includes some… 
Jul 6 2012
eeeb01316dc6pscrozi
Changing variable name so that it isn't overloaded. 
Jul 5 2012
57e4f1615d7fAxel Kohlmeyer
remove redundant line of code. 
Jul 4 2012
b99c3da7ad97Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jul 4 2012
7a388da069dfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8475 f3b2605a-c512-4ea7… 
Jul 4 2012
e86cb77378e8athomps
Updated error message in fix nvt/npt/nph 
Jul 4 2012
194d503cd3a8athomps
Updated error message in fix nvt/npt/nph 
Jul 4 2012
c89a12ff717eathomps
Added tilt factor scaling and fixed-point features to fix box/relax 
Jul 4 2012
4a0601f8751epscrozi
Adding in a new slab option for Jeremy Templeton. Invoked by "kspace_modify… 
Jul 3 2012
8be34761c8cbAxel Kohlmeyer
include bugfix from tom coles. 
Jul 3 2012
56ca4db42cd2pscrozi
Improved rms force error estimate for coulomb tables. Now takes into… 
Jul 3 2012
8bc507ded42aAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jul 3 2012
d2ced1abaa4asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8460 f3b2605a-c512-4ea7… 
Jul 2 2012
58f17efa4bcdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8459 f3b2605a-c512-4ea7… 
Jul 2 2012
839b0566475dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8458 f3b2605a-c512-4ea7… 
Jul 2 2012
f38a94ae8a93sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8457 f3b2605a-c512-4ea7… 
Jul 2 2012
0aaac5757cbdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8456 f3b2605a-c512-4ea7… 
Jul 2 2012
b1a4398a744fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8455 f3b2605a-c512-4ea7… 
Jul 2 2012
ef2bb14bab4bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8454 f3b2605a-c512-4ea7… 
Jul 2 2012
2a099bfedb48Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jun 30 2012
71f4cdf3f117pscrozi
Adding a method for estimating coulomb table precision and factoring that into… 
Jun 30 2012
4323d1522a22pscrozi
Making initial estimate for g_ewald more robust and better documented. 
Jun 30 2012
a8338a0263eesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8446 f3b2605a-c512-4ea7… 
Jun 29 2012
3ae7999dab74sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8445 f3b2605a-c512-4ea7… 
Jun 29 2012
1171c44e5e23sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8444 f3b2605a-c512-4ea7… 
Jun 29 2012
271b40ea9cbbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8443 f3b2605a-c512-4ea7… 
Jun 29 2012
e83510effad8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8441 f3b2605a-c512-4ea7… 
Jun 29 2012
4ad514f97b2csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8440 f3b2605a-c512-4ea7… 
Jun 29 2012
5dbe265bbc8csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8439 f3b2605a-c512-4ea7… 
Jun 29 2012
06d12cd6ec20sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8438 f3b2605a-c512-4ea7… 
Jun 29 2012
4fb3d545587asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8435 f3b2605a-c512-4ea7… 
Jun 29 2012
945fc5a36a65sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8434 f3b2605a-c512-4ea7… 
Jun 29 2012
6795f0f3afadsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8432 f3b2605a-c512-4ea7… 
Jun 29 2012
0746aaeb799bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8431 f3b2605a-c512-4ea7… 
Jun 29 2012
3c1f57ce6dcbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8430 f3b2605a-c512-4ea7… 
Jun 29 2012
1b02e7be5ecdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8427 f3b2605a-c512-4ea7… 
Jun 29 2012
1624264bc847sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8426 f3b2605a-c512-4ea7… 
Jun 29 2012
96f101c787cesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8425 f3b2605a-c512-4ea7… 
Jun 29 2012
76b5e67319c8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8423 f3b2605a-c512-4ea7… 
Jun 28 2012
85c6376af25fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8422 f3b2605a-c512-4ea7… 
Jun 28 2012
6ee328d0fc65sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8413 f3b2605a-c512-4ea7… 
Jun 27 2012
7a77a0a69be5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8412 f3b2605a-c512-4ea7… 
Jun 27 2012
3d3dd0d50b27pscrozi
Bug fix to prevent segfault when deallocate_groups is called even though groups… 
Jun 27 2012
f6de5943ed93sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8409 f3b2605a-c512-4ea7… 
Jun 27 2012
ad9d69168597sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8408 f3b2605a-c512-4ea7… 
Jun 27 2012
4d428c59d769sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8406 f3b2605a-c512-4ea7… 
Jun 26 2012
ae666be85e69sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8405 f3b2605a-c512-4ea7… 
Jun 26 2012
9bdeeadfd8e3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8402 f3b2605a-c512-4ea7… 
Jun 26 2012
5a78b33db740sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8401 f3b2605a-c512-4ea7… 
Jun 26 2012
0d3734ead467sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8399 f3b2605a-c512-4ea7… 
Jun 26 2012
dfb51e6b00d4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8398 f3b2605a-c512-4ea7… 
Jun 26 2012
83784f8381ffsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8397 f3b2605a-c512-4ea7… 
Jun 26 2012
66c5617afbe6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8395 f3b2605a-c512-4ea7… 
Jun 26 2012
8f6a8d13d594sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8393 f3b2605a-c512-4ea7… 
Jun 25 2012
da1c864eab79sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8392 f3b2605a-c512-4ea7… 
Jun 25 2012
e8ff810ee770sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8391 f3b2605a-c512-4ea7… 
Jun 25 2012
47b02a0db346Axel Kohlmeyer
delete unused variable 
Jun 24 2012
aa6c10fa9433Axel Kohlmeyer
update fix qeq/comb with changes from upstream 
Jun 24 2012
a47ece862eeeAxel Kohlmeyer
update multi-threaded neighbor list code with new upstream modules. 
Jun 24 2012
a3e3a9d4558aAxel Kohlmeyer
initialize variables in region command immediately 
Jun 23 2012
de240b156546Axel Kohlmeyer
update to sync with upstream (fix rigid support) 
Jun 23 2012
4055b29e10e6Axel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jun 23 2012
e7611d421f60sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8386 f3b2605a-c512-4ea7… 
Jun 23 2012
8f68628a20f8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8385 f3b2605a-c512-4ea7… 
Jun 22 2012
6e511540f87fAxel Kohlmeyer
Merge branch 'master' into lammps-icms 
Jun 22 2012
4f6d26042e33sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8379 f3b2605a-c512-4ea7… 
Jun 22 2012
45f8666346b3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8377 f3b2605a-c512-4ea7… 
Jun 22 2012
c76a926406d5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8374 f3b2605a-c512-4ea7… 
Jun 21 2012
ee874d1dff4asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8371 f3b2605a-c512-4ea7… 
Jun 21 2012
83416310f2d5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8370 f3b2605a-c512-4ea7… 
Jun 21 2012
79a7e57328ffsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8369 f3b2605a-c512-4ea7… 
Jun 21 2012
63f63e456772sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8368 f3b2605a-c512-4ea7… 
Jun 21 2012
31bc11ee34dbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8365 f3b2605a-c512-4ea7… 
Jun 21 2012
7398f3eca3d0athomps
Removed energy_updte_freq from nonbond calculation 
Jun 20 2012
e7b124f39600sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8362 f3b2605a-c512-4ea7… 
Jun 20 2012
b247eeb103f5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8361 f3b2605a-c512-4ea7… 
Jun 20 2012
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