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56ca4db42c
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Improved rms force error estimate for coulomb tables. Now takes into consideration charge density, cutoff, number of atoms, etc.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8463 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-03 15:47:48 +00:00 |
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71f4cdf3f1
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Adding a method for estimating coulomb table precision and factoring that into overall kspace precision estimate.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8453 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-29 22:49:51 +00:00 |
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ef9e700545
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-06-06 22:47:51 +00:00 |
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9eeb694432
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8094 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-05-18 22:03:32 +00:00 |
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8e34d4b27a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8044 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-05-04 19:31:50 +00:00 |
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3191fb7c87
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Adding a differentiation flag option to allow users to select analytic differentiation for PPPM.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8041 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-05-03 15:30:26 +00:00 |
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e4974ae9af
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8016 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-04-12 22:32:17 +00:00 |
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61c4fa6ee0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-03-05 15:31:20 +00:00 |
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6a544be9cf
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7858 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-02-28 19:52:12 +00:00 |
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14318fa300
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7798 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-02-15 23:40:55 +00:00 |
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7a22c79244
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7782 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-02-14 20:14:03 +00:00 |
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4f48544d41
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7379 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-12-16 21:15:49 +00:00 |
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19e8c92a90
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-09-23 18:06:55 +00:00 |
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557c982bf4
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5627 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-02-11 15:37:55 +00:00 |
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85f070b25b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5104 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-10-22 21:26:44 +00:00 |
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a4eff9cc14
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1828 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2008-05-15 23:58:17 +00:00 |
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ec0984b642
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Relaxed allowable range for slab parameter
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@475 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-04-12 16:38:19 +00:00 |
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209f169cbc
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@254 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-01-30 00:22:05 +00:00 |
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222c95507e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@26 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2006-09-27 19:51:33 +00:00 |
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