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16749566f8
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Revert "fix issue with local variable shadowing a global variable"
This reverts commit 3368eb79d8.
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2020-09-15 14:42:00 -04:00 |
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3368eb79d8
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fix issue with local variable shadowing a global variable
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2020-09-12 11:10:12 -04:00 |
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d7500c3e5a
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MSM output format tweaks
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2020-09-12 11:09:33 -04:00 |
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55704368d0
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include updates for commonly used packages
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2020-09-03 01:45:05 -04:00 |
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96d8d12a88
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replace calls to force->*numeric() with the corresponding utils::*numeric()
this also removes the now obsolete functions from Force
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2020-08-29 20:31:02 -04:00 |
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729b3d2717
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major whitespace cleanup
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2020-08-19 18:46:35 -04:00 |
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6f37da4eb2
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Whitespace cleanup
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2020-08-19 14:10:35 -06:00 |
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bd7917919b
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update list of pointer variables to be initialized to NULL in the msm constructor
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2020-08-13 09:34:02 -04:00 |
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3a1b88c57f
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enable MSM to work withe new GridComm class
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2020-08-12 17:41:31 -06:00 |
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cfaa3be898
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reduce screen output precision
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2020-07-04 08:26:00 -04:00 |
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8d5a9ad4af
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implement alternate version of MSM leak fix
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2020-06-22 19:28:24 -04:00 |
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afe6484c44
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Revert "reorganize memory (de-)allocation and fix substantial memory leak in MSM"
This reverts commit f78671c1a4.
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2020-06-22 19:15:28 -04:00 |
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f78671c1a4
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reorganize memory (de-)allocation and fix substantial memory leak in MSM
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2020-06-18 23:43:16 -04:00 |
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bfe42e3fbe
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make sure delete gc[n] is safe
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2020-06-18 12:40:08 -04:00 |
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6e1f18961c
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Convert characters to UTF-8
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2020-03-23 09:42:46 -04:00 |
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b29ffabe56
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move two_charge_force calc to occur at init, not constructor
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2020-01-21 14:24:55 -07:00 |
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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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985fc86aa3
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use ev_init for kspace
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2019-03-13 17:55:30 +01:00 |
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b34dac41c2
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port documentation spelling fixes to comments or strings in source code.
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2018-11-19 16:15:24 -05:00 |
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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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9090fd0255
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propagate the kspace change to a the first few kspace styles
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2018-10-18 16:31:17 -04:00 |
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4b2629d8ba
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recompile/recompute/reinit -> re-compile/re-compute/re-init
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2018-08-22 22:18:16 -04:00 |
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5670dc5e6e
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replace variable length array in msm with new/delete
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2018-05-04 18:09:25 -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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a5c6104d64
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Initialize pointers in KSPACE
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2016-11-07 16:54:59 +01:00 |
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876b033ea8
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2016-05-31 16:33:07 +00:00 |
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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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8a10c55a3b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14139 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-10-21 19:39:28 +00:00 |
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4e8c2824e3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13135 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-02-19 23:38:45 +00:00 |
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1eb5be1591
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12950 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2015-01-19 22:14:11 +00:00 |
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21ac09ad9c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12715 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-11-18 00:17:02 +00:00 |
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f350cc4ec7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12637 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-20 21:17:46 +00:00 |
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166a9c5bc7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12621 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-10-07 23:03:23 +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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65a76deb45
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12208 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-07-28 20:13:44 +00:00 |
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6c06a66ae7
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11978 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-05-13 15:23:13 +00:00 |
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8bee4ef596
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11907 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-05-02 21:49:36 +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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d54bd651a3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11646 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-03-19 19:00:18 +00:00 |
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f1e2227ed1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11584 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-03-04 16:45:44 +00:00 |
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3f3e996939
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11389 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2014-01-30 17:42:09 +00:00 |
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4b21fc7c81
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10306 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 16:20:57 +00:00 |
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366484eb34
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10284 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-23 15:02:51 +00:00 |
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2135141fe9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10282 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-22 23:02:25 +00:00 |
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580bffefea
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10273 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2013-07-22 22:27:57 +00:00 |
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