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Diffusion lammps (lammm-master-deprecated) Graph

lammps/src/KSPACE
lammm-master-deprecated

History Graph

CommitAuthorDetailsCommitted
a5c6bfb1c587sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9566 f3b2605a-c512-4ea7… 
Mar 5 2013
77f659a359b4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9531 f3b2605a-c512-4ea7… 
Feb 19 2013
79410e394fa7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9509 f3b2605a-c512-4ea7… 
Feb 15 2013
8f94aa801084sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9479 f3b2605a-c512-4ea7… 
Feb 14 2013
aae97983b888sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9449 f3b2605a-c512-4ea7… 
Feb 12 2013
59b8846dc5f7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9442 f3b2605a-c512-4ea7… 
Feb 11 2013
7a286596d887sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9416 f3b2605a-c512-4ea7… 
Feb 8 2013
0beb95626f71sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9401 f3b2605a-c512-4ea7… 
Feb 8 2013
6ab4ee064b81pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9397 f3b2605a-c512-4ea7… 
Feb 6 2013
30246e8dae99pscrozi
Adding in Axel's special math functions that give about 2% speed-up on the… 
Jan 24 2013
f0d36d98e96cpscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9309 f3b2605a-c512-4ea7… 
Jan 22 2013
c7de83772485sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9281 f3b2605a-c512-4ea7… 
Jan 17 2013
1fbdf607572dpscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9265 f3b2605a-c512-4ea7… 
Jan 12 2013
e66eccef5f4apscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9258 f3b2605a-c512-4ea7… 
Jan 10 2013
20150c50a8dcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9257 f3b2605a-c512-4ea7… 
Jan 10 2013
18c211af658cpscrozi
Updating MSM code to reflect changes allowing non-periodic boundaries. 
Jan 8 2013
f2d187716cdepscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9221 f3b2605a-c512-4ea7… 
Jan 3 2013
a67b94ddb753sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9172 f3b2605a-c512-4ea7… 
Jan 2 2013
05db562cb202pscrozi
Better MSM parallelization. 
Dec 5 2012
2a6f6ed9a458sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9141 f3b2605a-c512-4ea7… 
Dec 4 2012
da156c32228bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9085 f3b2605a-c512-4ea7… 
Nov 21 2012
a259373e89a0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9056 f3b2605a-c512-4ea7… 
Nov 12 2012
9d084fc66270pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9054 f3b2605a-c512-4ea7… 
Nov 12 2012
d8efe2a7d32fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9044 f3b2605a-c512-4ea7… 
Nov 9 2012
31c2a6f05fe1pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9038 f3b2605a-c512-4ea7… 
Nov 8 2012
dd022fc64f37pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9037 f3b2605a-c512-4ea7… 
Nov 8 2012
081640f42286pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8986 f3b2605a-c512-4ea7… 
Oct 19 2012
493410e7edfdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8984 f3b2605a-c512-4ea7… 
Oct 19 2012
c62169953b63sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8982 f3b2605a-c512-4ea7… 
Oct 19 2012
0b10887ad460pscrozi
Changes to coulomb tables. 
Oct 18 2012
fd4f2472afc1pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8971 f3b2605a-c512-4ea7… 
Oct 16 2012
8c55ffbce0f3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8965 f3b2605a-c512-4ea7… 
Oct 15 2012
946ec565c26fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8954 f3b2605a-c512-4ea7… 
Oct 12 2012
5b6ec31a145csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8953 f3b2605a-c512-4ea7… 
Oct 12 2012
fe2278f1b773sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8952 f3b2605a-c512-4ea7… 
Oct 12 2012
132aedce7325pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8947 f3b2605a-c512-4ea7… 
Oct 11 2012
c7aad596d97dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8945 f3b2605a-c512-4ea7… 
Oct 11 2012
7103e5903bf4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8934 f3b2605a-c512-4ea7… 
Oct 10 2012
88de4f676023sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8933 f3b2605a-c512-4ea7… 
Oct 10 2012
506f99afab74pscrozi
Adding an improved error estimator for MSM. 
Oct 10 2012
c16e9f354573sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8918 f3b2605a-c512-4ea7… 
Oct 8 2012
f14f768f7119sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8915 f3b2605a-c512-4ea7… 
Oct 6 2012
e27125f93e72sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8908 f3b2605a-c512-4ea7… 
Oct 5 2012
4fbc4692aa3fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8907 f3b2605a-c512-4ea7… 
Oct 5 2012
f0bb1a384ff1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8890 f3b2605a-c512-4ea7… 
Oct 3 2012
64672be150c1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8886 f3b2605a-c512-4ea7… 
Oct 3 2012
de1ad82b281asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8883 f3b2605a-c512-4ea7… 
Oct 3 2012
541b313f500asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8882 f3b2605a-c512-4ea7… 
Oct 3 2012
1adc4fee9892sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8869 f3b2605a-c512-4ea7… 
Oct 2 2012
9f8c6721d01dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8866 f3b2605a-c512-4ea7… 
Oct 2 2012
334c90fc21eapscrozi
Small bug fix for MSM. 
Oct 2 2012
4ee654c18e58sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8856 f3b2605a-c512-4ea7… 
Oct 2 2012
953061d658bdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8855 f3b2605a-c512-4ea7… 
Oct 2 2012
f88ddd343c6cpscrozi
Releasing MSM "v2" for LAMMPS. 
Oct 1 2012
1235bc0fe767pscrozi
Updating KSPACE/Install.sh to reflect new MSM files. 
Sep 20 2012
33a6f3c60edcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8801 f3b2605a-c512-4ea7… 
Sep 19 2012
1bc399ec3633sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8795 f3b2605a-c512-4ea7… 
Sep 19 2012
0a3b68b5fa9esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8790 f3b2605a-c512-4ea7… 
Sep 14 2012
52626080b7a7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8787 f3b2605a-c512-4ea7… 
Sep 14 2012
5bc864de6606sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8781 f3b2605a-c512-4ea7… 
Sep 13 2012
ace4980800d3pscrozi
Adding MSM code. 
Sep 13 2012
25b5a253cb0bpscrozi
Updating timings tests in pppm_old.cpp/h to match those in pppm.cpp/h 
Sep 13 2012
51a07b01d6dbpscrozi
Adding missing semi-colon. 
Sep 11 2012
277244a376c1pscrozi
Got rid of non-standard character and cleared unneeded spaces. 
Sep 11 2012
257bfccd01dasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8766 f3b2605a-c512-4ea7… 
Sep 11 2012
509a0bb16fd4pscrozi
Adding changes to 2 FFT PPPM so that it runs faster in NPT mode. This is due to… 
Sep 11 2012
feb096873e1epscrozi
Bug fix for nbuf_peratom. 
Aug 24 2012
93e71a27d483pscrozi
Splitting 1d and 3d FFT timings. 
Aug 24 2012
02b9a79d3850sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8679 f3b2605a-c512-4ea7… 
Aug 17 2012
53bb7e981d3dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8677 f3b2605a-c512-4ea7… 
Aug 17 2012
2d1d82784260sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8564 f3b2605a-c512-4ea7… 
Aug 8 2012
435a693fd8f3pscrozi
With the creation of pppm/old, we no longer need PPPM::diffpr and we can change… 
Aug 7 2012
9631345b05b0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8530 f3b2605a-c512-4ea7… 
Aug 6 2012
3f5513cc1ea5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8529 f3b2605a-c512-4ea7… 
Aug 6 2012
bb9541993c35sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8526 f3b2605a-c512-4ea7… 
Aug 4 2012
c4f8d2d11017pscrozi
Analytic differentiation (AD) for PPPM. 
Aug 2 2012
47552d40335esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8498 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
98977d765cd5pscrozi
Backing out recent changes (8479, 8480, and 8482) where 2 FFT version of PPPM… 
Jul 9 2012
cf16cc1dd2e7pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8482 f3b2605a-c512-4ea7… 
Jul 7 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
4a0601f8751epscrozi
Adding in a new slab option for Jeremy Templeton. Invoked by "kspace_modify… 
Jul 3 2012
56ca4db42cd2pscrozi
Improved rms force error estimate for coulomb tables. Now takes into… 
Jul 3 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
e83510effad8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8441 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
3d3dd0d50b27pscrozi
Bug fix to prevent segfault when deallocate_groups is called even though groups… 
Jun 27 2012
4c4586421771sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8298 f3b2605a-c512-4ea7… 
Jun 15 2012
ef9e70054573sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7… 
Jun 7 2012
4990f2e53ddfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8208 f3b2605a-c512-4ea7… 
Jun 1 2012
5d8ad6391485sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8196 f3b2605a-c512-4ea7… 
May 30 2012
c27e7ac9897dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8186 f3b2605a-c512-4ea7… 
May 25 2012
365218d56f0esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8153 f3b2605a-c512-4ea7… 
May 23 2012
50fd0cd254b1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8136 f3b2605a-c512-4ea7… 
May 22 2012
47f698b2a0f8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8104 f3b2605a-c512-4ea7… 
May 19 2012
9eeb69443254sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8094 f3b2605a-c512-4ea7… 
May 19 2012
88039f3e0866pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7967 f3b2605a-c512-4ea7… 
Mar 21 2012
6c836ed0e4c1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7924 f3b2605a-c512-4ea7… 
Mar 7 2012
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