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0271bc482f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8566 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-08 15:19:08 +00:00 |
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2d1d827842
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8564 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-08 15:00:31 +00:00 |
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628ef9081f
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8563 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-08 15:00:24 +00:00 |
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5132647c39
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8562 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-08 14:47:48 +00:00 |
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40a2577564
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8560 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-08 14:18:21 +00:00 |
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6be09326c0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8558 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-08 14:16:15 +00:00 |
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ca31cc85fe
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8555 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-07 18:22:56 +00:00 |
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16114b3b95
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8552 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-07 17:47:45 +00:00 |
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be1e06897b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8551 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-07 16:12:48 +00:00 |
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435a693fd8
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With the creation of pppm/old, we no longer need PPPM::diffpr and we can change the name of PPPM::rms to make it more meaningful and require fewer variables be passed to it. Minor clean-up.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8549 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-06 23:25:51 +00:00 |
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fe659573e9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8547 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-06 22:53:21 +00:00 |
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df7994356a
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8543 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-06 22:46:44 +00:00 |
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76721f9101
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8542 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-06 22:46:35 +00:00 |
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3631240914
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8539 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-06 22:28:38 +00:00 |
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48b22abf0b
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8538 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-06 22:23:35 +00:00 |
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a4b5cb4dc9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8537 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-06 22:23:19 +00:00 |
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b361264715
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8536 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-06 22:11:04 +00:00 |
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ac3572a0c9
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8534 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-06 21:20:29 +00:00 |
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93181e05b0
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8531 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-06 21:10:08 +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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3f5513cc1e
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8529 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-06 20:48:48 +00:00 |
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bb9541993c
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8526 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-04 19:30:28 +00:00 |
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c4f8d2d110
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Analytic differentiation (AD) for PPPM.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8525 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-02 18:40:46 +00:00 |
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d33a0604e2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8524 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-02 17:59:22 +00:00 |
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adc385d450
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Need more samples in order to get a non-zero timing for kspace FFT flops calculation. Boosting from 5 to 1000.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8523 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-02 17:12:44 +00:00 |
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ec87f00bff
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8522 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-08-01 15:19:19 +00:00 |
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c579294b09
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8520 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-31 23:51:17 +00:00 |
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c3f93644ac
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8519 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-31 23:47:56 +00:00 |
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4ec21d8ca8
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Added reax/c array allocation keywords
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8518 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-31 23:08:39 +00:00 |
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3d999ea9fa
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8516 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-31 21:55:36 +00:00 |
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37d905578c
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Adding a domain remap after doing an MC particle move. This fixes a bug that shows up when an MC particle move moves a particle through the PBC.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8515 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-31 17:55:48 +00:00 |
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601fb2f9a1
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8512 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-25 16:59:27 +00:00 |
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6bfa697ae2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8500 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-25 15:18:55 +00:00 |
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52eba645ca
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8499 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-25 15:17:24 +00:00 |
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47552d4033
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8498 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-25 15:16:20 +00:00 |
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912cfaca75
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8497 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-25 15:15:41 +00:00 |
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5e52200ad3
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8496 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-24 23:14:32 +00:00 |
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66f14edf60
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8493 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-24 18:33:34 +00:00 |
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3d59bf0166
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8492 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-24 18:33:20 +00:00 |
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35e3d38972
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8491 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-24 15:15:48 +00:00 |
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8b62babddd
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8490 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-24 14:55:49 +00:00 |
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0d1ef8e3be
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8489 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-16 16:22:16 +00:00 |
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95e51c0cda
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Added DELTATILT to box skew check
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8484 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-10 20:32:47 +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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cf16cc1dd2
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8482 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-07 17:46:24 +00:00 |
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193e63f443
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Updating pppm_cuda.cpp to correspond with recent PPPM changes.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8480 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-05 23:04:02 +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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eeeb01316d
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Changing variable name so that it isn't overloaded.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8478 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-05 21:57:29 +00:00 |
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7a388da069
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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8475 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-04 00:31:38 +00:00 |
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e86cb77378
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Updated error message in fix nvt/npt/nph
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8474 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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2012-07-03 23:19:41 +00:00 |
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