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09c19a936b
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update URLs in source code and manual
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2021-05-24 14:18:20 -04:00 |
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d1941392d3
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disable clang-format for all existing .cpp files (for now)
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2021-05-05 23:53:38 -04:00 |
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adf74b3a22
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use https://lammps.sandia.gov based URLs consistently
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2020-10-21 16:45:30 -04:00 |
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e777454888
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add unittest for pppm/tip4p with kspace_modify diff ad and fix related bug in pppm/tip4p/omp
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2020-08-06 14:42:15 -04:00 |
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649a8cc01a
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Fix typo
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2020-03-14 13:57:48 +09:00 |
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be01cfffa3
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fix typo and port find_M() code to USER-OMP version
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2019-10-14 07:53:24 -04:00 |
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94b80f9ac6
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correct pppm/tip4p to give correct forces with tip4p with triclinic cells
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2019-10-13 17:47:09 -04:00 |
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61ed3b65b7
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clean up includes in KSPACE package
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2019-07-06 10:20:13 -04:00 |
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5b3a15bd94
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putting implementation header first in package folder sources
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2019-07-03 19:58:25 -04:00 |
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2f52eee6bf
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kspace refactor compiles for KSPACE and USER-OMP
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2018-10-19 15:11:37 -04:00 |
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e4071d7f46
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replace C-style include files with their C++ equivalents
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2018-04-27 18:00:24 -04:00 |
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488d1b7a79
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correct find_M() function in pppm/tip4p to properly account for ghost atoms not being in lamda space with triclinic cells
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2017-06-22 17:36:18 -04:00 |
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b9029ada77
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fix bug in incorrect use of O coordinate instead of M coordinate in pppm/tip4p
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2017-06-22 00:07:59 -04:00 |
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554531a302
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update permissions
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2017-03-20 13:51:36 -04:00 |
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c31f1e9f22
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add fix mscg command, example, lib
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2017-01-09 13:36:40 -07:00 |
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142770cb2a
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enable pppm/tip4p to work with triclinic
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2017-01-06 10:38:32 -07:00 |
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f6a819580c
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pair TIP4P bug fix for cutoffs >> box size
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2017-01-06 09:57:27 -07:00 |
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0939eb1ee9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14372 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-12-15 22:30:45 +00:00 |
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354e20f431
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-30 20:04:06 +00:00 |
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b74fcc80ac
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12350 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-25 16:49:25 +00:00 |
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4ea728dc80
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12348 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-25 16:01:17 +00:00 |
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c1e12f9508
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12285 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-08 17:55:44 +00:00 |
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9026afed5c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12284 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-08 14:25:15 +00:00 |
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3dace181b7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12237 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-08-01 14:42:16 +00:00 |
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8b6dd56190
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12235 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-31 21:39:36 +00:00 |
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c0fbdbefaa
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11756 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-04-09 16:50:23 +00:00 |
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d56c38d62d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10008 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-06-01 00:08:35 +00:00 |
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7018102f9f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9847 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-05-08 21:08:55 +00:00 |
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aae97983b8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9449 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-02-12 15:38:24 +00:00 |
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f0d36d98e9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9309 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-01-22 20:18:42 +00:00 |
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9f8c6721d0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8866 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-10-02 20:11:55 +00:00 |
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1bc399ec36
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8795 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-09-18 22:55:16 +00:00 |
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9631345b05
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8530 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-06 21:05:10 +00:00 |
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98977d765c
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Backing out recent changes (8479, 8480, and 8482) where 2 FFT version of PPPM was added.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8483 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-09 16:50:38 +00:00 |
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aa27b1b646
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Adding in 2 FFT version of PPPM for better scaling. This also includes some modifications to the 4 FFT version of PPPM causing the PPPM initialization to run slower, but loop time is essentially the same.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8479 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-05 23:03:04 +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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16a2afc642
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7310 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-12-08 17:56:37 +00:00 |
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ba728e5e07
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7262 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-12-01 15:47:17 +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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8745580d5d
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6622 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-08-08 19:40:03 +00:00 |
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f19afbe481
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6499 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2011-07-01 15:38:33 +00:00 |
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b6f4bd6ef5
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4242 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2010-06-04 15:45:05 +00:00 |
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75181aa0e6
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@368 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2007-03-08 00:50:47 +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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