History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
c24fca61f37a | Axel Kohlmeyer | fix possible uninitialized data access with pppm and pppm/disp | Jul 13 2017 | |||
73b948dcfc97 | Axel Kohlmeyer | pppm must be fully reinitialized after switching to triclinic box to avoid… | Jun 23 2017 | |||
4b8d2e829c24 | Axel Kohlmeyer | triclinic member variable is referenced in destructor and thus must be… | May 30 2017 | |||
28bdebd3c045 | Axel Kohlmeyer | avoid segfault when calling PPPM*::memory_usage() before grid communication is… | Mar 28 2017 | |||
554531a302d7 | Axel Kohlmeyer | update permissions | Mar 20 2017 | |||
c31f1e9f2252 | Steve Plimpton | add fix mscg command, example, lib | Jan 9 2017 | |||
142770cb2a69 | Steve Plimpton | enable pppm/tip4p to work with triclinic | Jan 6 2017 | |||
a5c6104d6403 | Anders Hafreager | Initialize pointers in KSPACE | Nov 7 2016 | |||
b4785cd03877 | stamoor | Adding Kokkos version of PPPM | Sep 1 2016 | |||
876b033ea862 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7… | May 31 2016 | |||
0939eb1ee963 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14372 f3b2605a-c512-4ea7… | Dec 15 2015 | |||
354e20f43157 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7… | Oct 30 2015 | |||
2f55b6da36a3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13903 f3b2605a-c512-4ea7… | Aug 19 2015 | |||
6106843d57af | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13467 f3b2605a-c512-4ea7… | May 15 2015 | |||
84a5ec39ec21 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7… | Mar 24 2015 | |||
4e8c2824e3e4 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13135 f3b2605a-c512-4ea7… | Feb 20 2015 | |||
1eb5be159143 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12950 f3b2605a-c512-4ea7… | Jan 19 2015 | |||
21ac09ad9c9c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12715 f3b2605a-c512-4ea7… | Nov 18 2014 | |||
f350cc4ec77b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12637 f3b2605a-c512-4ea7… | Oct 20 2014 | |||
166a9c5bc791 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12621 f3b2605a-c512-4ea7… | Oct 8 2014 | |||
b74fcc80ac13 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12350 f3b2605a-c512-4ea7… | Aug 25 2014 | |||
4ea728dc8007 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12348 f3b2605a-c512-4ea7… | Aug 25 2014 | |||
c1e12f950867 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12285 f3b2605a-c512-4ea7… | Aug 8 2014 | |||
9026afed5cf9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12284 f3b2605a-c512-4ea7… | Aug 8 2014 | |||
3f3446e8dded | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12274 f3b2605a-c512-4ea7… | Aug 7 2014 | |||
65a76deb45b1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12208 f3b2605a-c512-4ea7… | Jul 28 2014 | |||
6c06a66ae7b1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11978 f3b2605a-c512-4ea7… | May 13 2014 | |||
c0fbdbefaa4c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11756 f3b2605a-c512-4ea7… | Apr 9 2014 | |||
7b291636cf3b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11633 f3b2605a-c512-4ea7… | Mar 14 2014 | |||
2bcf10827cc2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11588 f3b2605a-c512-4ea7… | Mar 6 2014 | |||
f1e2227ed1cf | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11584 f3b2605a-c512-4ea7… | Mar 4 2014 | |||
0bf07f466d6c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10661 f3b2605a-c512-4ea7… | Aug 23 2013 | |||
9af873dddb70 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10599 f3b2605a-c512-4ea7… | Aug 19 2013 | |||
5b00a238c313 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10499 f3b2605a-c512-4ea7… | Jul 30 2013 | |||
481bcc774b67 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10283 f3b2605a-c512-4ea7… | Jul 23 2013 | |||
2135141fe968 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10282 f3b2605a-c512-4ea7… | Jul 23 2013 | |||
ce91adefc17b | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10197 f3b2605a-c512-4ea7… | Jun 29 2013 | |||
f37ae6cb7476 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7… | Jun 28 2013 | |||
df08f3e483fa | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10137 f3b2605a-c512-4ea7… | Jun 28 2013 | |||
83f360b90bc9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10136 f3b2605a-c512-4ea7… | Jun 28 2013 | |||
c0acc33584ae | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10134 f3b2605a-c512-4ea7… | Jun 28 2013 | |||
440d38977984 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10130 f3b2605a-c512-4ea7… | Jun 28 2013 | |||
7f18289ee36e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10010 f3b2605a-c512-4ea7… | Jun 4 2013 | |||
a6e871f0a523 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10009 f3b2605a-c512-4ea7… | Jun 4 2013 | |||
07b41bfb6eb8 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9848 f3b2605a-c512-4ea7… | May 8 2013 | |||
7018102f9f78 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9847 f3b2605a-c512-4ea7… | May 8 2013 | |||
bfdbe3ab8764 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9846 f3b2605a-c512-4ea7… | May 8 2013 | |||
2cc636f1aa6c | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9802 f3b2605a-c512-4ea7… | Apr 29 2013 | |||
7903b2678702 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9800 f3b2605a-c512-4ea7… | Apr 25 2013 | |||
1dc3bee64c15 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9609 f3b2605a-c512-4ea7… | Mar 7 2013 | |||
a5c6bfb1c587 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9566 f3b2605a-c512-4ea7… | Mar 5 2013 | |||
6ab4ee064b81 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9397 f3b2605a-c512-4ea7… | Feb 6 2013 | |||
30246e8dae99 | pscrozi | Adding in Axel's special math functions that give about 2% speed-up on the… | Jan 24 2013 | |||
2a6f6ed9a458 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9141 f3b2605a-c512-4ea7… | Dec 4 2012 | |||
493410e7edfd | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8984 f3b2605a-c512-4ea7… | Oct 19 2012 | |||
c62169953b63 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8982 f3b2605a-c512-4ea7… | Oct 19 2012 | |||
5b6ec31a145c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8953 f3b2605a-c512-4ea7… | Oct 12 2012 | |||
fe2278f1b773 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8952 f3b2605a-c512-4ea7… | Oct 12 2012 | |||
88de4f676023 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8933 f3b2605a-c512-4ea7… | Oct 10 2012 | |||
9f8c6721d01d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8866 f3b2605a-c512-4ea7… | Oct 2 2012 | |||
51a07b01d6db | pscrozi | Adding missing semi-colon. | Sep 11 2012 | |||
277244a376c1 | pscrozi | Got rid of non-standard character and cleared unneeded spaces. | Sep 11 2012 | |||
257bfccd01da | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8766 f3b2605a-c512-4ea7… | Sep 11 2012 | |||
509a0bb16fd4 | pscrozi | Adding changes to 2 FFT PPPM so that it runs faster in NPT mode. This is due to… | Sep 11 2012 | |||
feb096873e1e | pscrozi | Bug fix for nbuf_peratom. | Aug 24 2012 | |||
93e71a27d483 | pscrozi | Splitting 1d and 3d FFT timings. | Aug 24 2012 | |||
53bb7e981d3d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8677 f3b2605a-c512-4ea7… | Aug 17 2012 | |||
2d1d82784260 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8564 f3b2605a-c512-4ea7… | Aug 8 2012 | |||
435a693fd8f3 | pscrozi | With the creation of pppm/old, we no longer need PPPM::diffpr and we can change… | Aug 7 2012 | |||
3f5513cc1ea5 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8529 f3b2605a-c512-4ea7… | Aug 6 2012 | |||
bb9541993c35 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8526 f3b2605a-c512-4ea7… | Aug 4 2012 | |||
c4f8d2d11017 | pscrozi | Analytic differentiation (AD) for PPPM. | Aug 2 2012 | |||
98977d765cd5 | pscrozi | Backing out recent changes (8479, 8480, and 8482) where 2 FFT version of PPPM… | Jul 9 2012 | |||
aa27b1b646f6 | pscrozi | Adding in 2 FFT version of PPPM for better scaling. This also includes some… | Jul 6 2012 | |||
4a0601f8751e | pscrozi | Adding in a new slab option for Jeremy Templeton. Invoked by "kspace_modify… | Jul 3 2012 | |||
56ca4db42cd2 | pscrozi | Improved rms force error estimate for coulomb tables. Now takes into… | Jul 3 2012 | |||
71f4cdf3f117 | pscrozi | Adding a method for estimating coulomb table precision and factoring that into… | Jun 30 2012 | |||
4323d1522a22 | pscrozi | Making initial estimate for g_ewald more robust and better documented. | Jun 30 2012 | |||
ef9e70054573 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7… | Jun 7 2012 | |||
4990f2e53ddf | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8208 f3b2605a-c512-4ea7… | Jun 1 2012 | |||
365218d56f0e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8153 f3b2605a-c512-4ea7… | May 23 2012 | |||
50fd0cd254b1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8136 f3b2605a-c512-4ea7… | May 22 2012 | |||
47f698b2a0f8 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8104 f3b2605a-c512-4ea7… | May 19 2012 | |||
9eeb69443254 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8094 f3b2605a-c512-4ea7… | May 19 2012 | |||
6c836ed0e4c1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7924 f3b2605a-c512-4ea7… | Mar 7 2012 | |||
551026717f65 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7867 f3b2605a-c512-4ea7… | Feb 29 2012 | |||
6a544be9cffe | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7858 f3b2605a-c512-4ea7… | Feb 28 2012 | |||
741a27239040 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7845 f3b2605a-c512-4ea7… | Feb 28 2012 | |||
80b044e875e1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7805 f3b2605a-c512-4ea7… | Feb 16 2012 | |||
14dd64b17a9c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7794 f3b2605a-c512-4ea7… | Feb 15 2012 | |||
40cf019065f3 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7784 f3b2605a-c512-4ea7… | Feb 14 2012 | |||
323750f484cf | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7783 f3b2605a-c512-4ea7… | Feb 14 2012 | |||
7a22c7924478 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7782 f3b2605a-c512-4ea7… | Feb 14 2012 | |||
2f095e1349f4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7740 f3b2605a-c512-4ea7… | Feb 9 2012 | |||
360997dd00b9 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7720 f3b2605a-c512-4ea7… | Feb 7 2012 | |||
3844c08c56cb | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7713 f3b2605a-c512-4ea7… | Feb 6 2012 | |||
02532720cd78 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7440 f3b2605a-c512-4ea7… | Jan 6 2012 | |||
16a2afc64205 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7310 f3b2605a-c512-4ea7… | Dec 8 2011 | |||
9224da83abce | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7303 f3b2605a-c512-4ea7… | Dec 8 2011 | |||
ba728e5e07e1 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7262 f3b2605a-c512-4ea7… | Dec 1 2011 |
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