Diffusion lammps (master) History

History
master628190cbcb86046d9e35707…

Oct 30 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14215 f3b2605a-c512-4ea7…
628190cbcb86
·sjplimp on Oct 30 2015, 15:52.

Oct 23 2015

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·sjplimp on Oct 23 2015, 21:59.
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·sjplimp on Oct 23 2015, 21:59.
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·sjplimp on Oct 23 2015, 21:50.
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·sjplimp on Oct 23 2015, 21:49.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14208 f3b2605a-c512-4ea7…
7340e1b429f0
·sjplimp on Oct 23 2015, 21:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14207 f3b2605a-c512-4ea7…
0035a690d15b
·sjplimp on Oct 23 2015, 21:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14206 f3b2605a-c512-4ea7…
2a1a318ce7c3
·sjplimp on Oct 23 2015, 21:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14201 f3b2605a-c512-4ea7…
a27957c58f1b
·sjplimp on Oct 23 2015, 19:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14200 f3b2605a-c512-4ea7…
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·sjplimp on Oct 23 2015, 19:16.
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·sjplimp on Oct 23 2015, 19:14.
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·sjplimp on Oct 23 2015, 19:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14197 f3b2605a-c512-4ea7…
08157510b702
·sjplimp on Oct 23 2015, 19:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14196 f3b2605a-c512-4ea7…
e53f61a8691b
·sjplimp on Oct 23 2015, 16:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14195 f3b2605a-c512-4ea7…
46755d0c7d49
·sjplimp on Oct 23 2015, 02:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14194 f3b2605a-c512-4ea7…
df128b06e85b
·sjplimp on Oct 23 2015, 02:57.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14192 f3b2605a-c512-4ea7…
7a9ae37e028c
·sjplimp on Oct 23 2015, 02:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14191 f3b2605a-c512-4ea7…
021a327e851a
·sjplimp on Oct 23 2015, 02:46.
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·sjplimp on Oct 23 2015, 02:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14188 f3b2605a-c512-4ea7…
238c17e0c7b3
·sjplimp on Oct 23 2015, 02:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14187 f3b2605a-c512-4ea7…
9057c423506f
·sjplimp on Oct 23 2015, 02:30.
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·sjplimp on Oct 23 2015, 02:30.
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·sjplimp on Oct 23 2015, 02:30.
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·sjplimp on Oct 23 2015, 02:23.
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·sjplimp on Oct 23 2015, 02:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14182 f3b2605a-c512-4ea7…
9e92038756b7
·sjplimp on Oct 23 2015, 02:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14181 f3b2605a-c512-4ea7…
336aa4093e41
·sjplimp on Oct 23 2015, 02:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14180 f3b2605a-c512-4ea7…
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·sjplimp on Oct 23 2015, 02:04.
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·sjplimp on Oct 23 2015, 01:53.
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·sjplimp on Oct 23 2015, 01:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14177 f3b2605a-c512-4ea7…
bcf560477a80
·sjplimp on Oct 23 2015, 01:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14176 f3b2605a-c512-4ea7…
9cf48b934967
·sjplimp on Oct 23 2015, 01:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14175 f3b2605a-c512-4ea7…
d815b390baf1
·sjplimp on Oct 23 2015, 01:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14174 f3b2605a-c512-4ea7…
f8d13ac85323
·sjplimp on Oct 23 2015, 01:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14173 f3b2605a-c512-4ea7…
cfbe572aa5a7
·sjplimp on Oct 23 2015, 01:03.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14172 f3b2605a-c512-4ea7…
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·sjplimp on Oct 23 2015, 00:56.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14171 f3b2605a-c512-4ea7…
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·sjplimp on Oct 23 2015, 00:56.
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·sjplimp on Oct 23 2015, 00:17.
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·sjplimp on Oct 23 2015, 00:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14167 f3b2605a-c512-4ea7…
36b3880e392a
·sjplimp on Oct 23 2015, 00:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14166 f3b2605a-c512-4ea7…
0068c45c803d
·sjplimp on Oct 23 2015, 00:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14165 f3b2605a-c512-4ea7…
449f373db533
·sjplimp on Oct 23 2015, 00:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7…
cee848f94865
·sjplimp on Oct 23 2015, 00:06.

Oct 22 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14163 f3b2605a-c512-4ea7…
b229c719d0d3
·sjplimp on Oct 22 2015, 23:48.
Small tweak for compatibility with different versions of lscpu
1eeeb028f914
·stamoor on Oct 22 2015, 21:05.
Fixed problem with box flips under NVT
066e7598c9b6
·athomps on Oct 22 2015, 01:20.
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·sjplimp on Oct 22 2015, 01:17.
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·sjplimp on Oct 22 2015, 01:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14158 f3b2605a-c512-4ea7…
e512ca27a7e6
·sjplimp on Oct 22 2015, 01:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14157 f3b2605a-c512-4ea7…
46e7b6417603
·sjplimp on Oct 22 2015, 01:13.

Oct 21 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14156 f3b2605a-c512-4ea7…
4ce32a301c7d
·sjplimp on Oct 21 2015, 23:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14155 f3b2605a-c512-4ea7…
bc1cf9965e75
·sjplimp on Oct 21 2015, 23:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14153 f3b2605a-c512-4ea7…
069e25a84b57
·sjplimp on Oct 21 2015, 23:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14152 f3b2605a-c512-4ea7…
a2604e221e48
·sjplimp on Oct 21 2015, 23:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14151 f3b2605a-c512-4ea7…
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·sjplimp on Oct 21 2015, 23:00.
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·sjplimp on Oct 21 2015, 22:53.
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·sjplimp on Oct 21 2015, 22:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14148 f3b2605a-c512-4ea7…
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·sjplimp on Oct 21 2015, 22:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14147 f3b2605a-c512-4ea7…
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·sjplimp on Oct 21 2015, 21:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14145 f3b2605a-c512-4ea7…
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·sjplimp on Oct 21 2015, 21:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14144 f3b2605a-c512-4ea7…
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·sjplimp on Oct 21 2015, 21:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14143 f3b2605a-c512-4ea7…
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·sjplimp on Oct 21 2015, 21:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14142 f3b2605a-c512-4ea7…
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·sjplimp on Oct 21 2015, 21:42.
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·sjplimp on Oct 21 2015, 21:41.
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·sjplimp on Oct 21 2015, 21:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14139 f3b2605a-c512-4ea7…
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·sjplimp on Oct 21 2015, 21:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14138 f3b2605a-c512-4ea7…
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·sjplimp on Oct 21 2015, 21:34.
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·sjplimp on Oct 21 2015, 21:30.
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·sjplimp on Oct 21 2015, 21:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14135 f3b2605a-c512-4ea7…
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·sjplimp on Oct 21 2015, 21:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14134 f3b2605a-c512-4ea7…
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·sjplimp on Oct 21 2015, 21:27.
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·sjplimp on Oct 21 2015, 20:53.
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·sjplimp on Oct 21 2015, 20:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14131 f3b2605a-c512-4ea7…
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·sjplimp on Oct 21 2015, 20:52.
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·sjplimp on Oct 21 2015, 20:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14129 f3b2605a-c512-4ea7…
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·sjplimp on Oct 21 2015, 20:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7…
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·sjplimp on Oct 21 2015, 20:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14127 f3b2605a-c512-4ea7…
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·sjplimp on Oct 21 2015, 20:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14126 f3b2605a-c512-4ea7…
b2c2e38ba396
·sjplimp on Oct 21 2015, 20:09.
Added vashishta to USER-OMP from Axel
bf26b12668a4
·athomps on Oct 21 2015, 05:57.

Oct 19 2015

Added Vashishta potential
a38f111b9c93
·athomps on Oct 19 2015, 19:23.
Added Xiong's name and cleaned up code
45a91eaded08
·athomps on Oct 19 2015, 19:20.
Made molecule ID for molecule group to minus 1
7b16c435b6c2
·athomps on Oct 19 2015, 19:19.

Oct 16 2015

Fixed MINe type
9025f65fad7d
·athomps on Oct 16 2015, 20:37.

Oct 15 2015

Require type argument be zero when mol keyword used
ce6210557023
·athomps on Oct 15 2015, 23:02.
Added acknowledgement for Xiong
2675f362e17d
·athomps on Oct 15 2015, 23:00.
Propoaged SW cutoff fix into similar code elsewhere
834731ddb4f4
·athomps on Oct 15 2015, 20:41.
Added Vashishta potential
c7170a4296b4
·athomps on Oct 15 2015, 19:39.
Changed DATA to DATE in headers
edf114fd2583
·athomps on Oct 15 2015, 19:36.
Protected against numerical overflow at cutoff
aa6624c029fd
·athomps on Oct 15 2015, 02:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14114 f3b2605a-c512-4ea7…
d4870cd69f7c
·sjplimp on Oct 15 2015, 01:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14113 f3b2605a-c512-4ea7…
5f1eddedcf1c
·sjplimp on Oct 15 2015, 01:19.

Oct 13 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14112 f3b2605a-c512-4ea7…
b437d74c75c0
·sjplimp on Oct 13 2015, 22:07.
added tfac_insert keyword
d357a2f44a00
·athomps on Oct 13 2015, 18:11.
added tfac_insert keyword and changed molecule insertion velocities PRNG
537e951c6d8d
·athomps on Oct 13 2015, 17:54.
added tfac_insert keyword
39e8123a02d8
·athomps on Oct 13 2015, 17:53.

Oct 7 2015

Added deprecated warning message to pair_style reax
97878b1a9f68
·athomps on Oct 7 2015, 22:20.
Added deprecated warning message to pair_style reax
dcb68f4c9786
·athomps on Oct 7 2015, 22:20.

Oct 5 2015

Added elastic constant example at finite temperature
da1e4e4f258c
·athomps on Oct 5 2015, 23:02.
Added elastic constant example at finite temperature
233eaea97d7c
·athomps on Oct 5 2015, 20:54.