Diffusion lammps (master) History

History
masterd8c16fb28dfc53ec5c1aa21…

Oct 23 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14171 f3b2605a-c512-4ea7…
d8c16fb28dfc
·sjplimp on Oct 23 2015, 00:56.
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01acc9302925
·sjplimp on Oct 23 2015, 00:17.
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0a4b0ced3336
·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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d75b4730d9b6
·sjplimp on Oct 22 2015, 01:17.
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7a68ceb57a2d
·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…
5775cf2f9355
·sjplimp on Oct 21 2015, 23:00.
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636a6903dbbc
·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…
50733f2482ae
·sjplimp on Oct 21 2015, 22:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14147 f3b2605a-c512-4ea7…
3830813864c4
·sjplimp on Oct 21 2015, 21:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14145 f3b2605a-c512-4ea7…
869b8f9d3ac6
·sjplimp on Oct 21 2015, 21:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14144 f3b2605a-c512-4ea7…
87ae4919a958
·sjplimp on Oct 21 2015, 21:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14143 f3b2605a-c512-4ea7…
1953fd7feea0
·sjplimp on Oct 21 2015, 21:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14142 f3b2605a-c512-4ea7…
7163eaf6005f
·sjplimp on Oct 21 2015, 21:42.
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bc33be3ede3f
·sjplimp on Oct 21 2015, 21:41.
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1a488ad50aaa
·sjplimp on Oct 21 2015, 21:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14139 f3b2605a-c512-4ea7…
8a10c55a3b2c
·sjplimp on Oct 21 2015, 21:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14138 f3b2605a-c512-4ea7…
abe4c06219b8
·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…
b036260091bd
·sjplimp on Oct 21 2015, 21:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14134 f3b2605a-c512-4ea7…
d145ae099ed8
·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…
cd078405e003
·sjplimp on Oct 21 2015, 20:52.
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c4af165bbaee
·sjplimp on Oct 21 2015, 20:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14129 f3b2605a-c512-4ea7…
ef82677cb25c
·sjplimp on Oct 21 2015, 20:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7…
9a878cdd6718
·sjplimp on Oct 21 2015, 20:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14127 f3b2605a-c512-4ea7…
ddfb996d8e3f
·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.
Made output prettier
ae2a7e2ebdba
·athomps on Oct 5 2015, 20:54.
Added elastic constant example at finite temperature
a1149efbfa3b
·athomps on Oct 5 2015, 20:52.
Added elastic constant example at finite temperature
8a024fa64b01
·athomps on Oct 5 2015, 20:49.
Added elastic constant example at finite temperature
db4d01260bda
·athomps on Oct 5 2015, 20:41.
Added elastic constant example at finite temperature
46545bb3083b
·athomps on Oct 5 2015, 20:30.
Added elastic constant example at finite temperature
eda7896364bb
·athomps on Oct 5 2015, 20:25.
Added elastic constant example at finite temperature
f343a9f4a077
·athomps on Oct 5 2015, 20:22.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14095 f3b2605a-c512-4ea7…
1bb4a26214c3
·sjplimp on Oct 5 2015, 17:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14094 f3b2605a-c512-4ea7…
bb48e4789521
·sjplimp on Oct 5 2015, 17:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14093 f3b2605a-c512-4ea7…
c7842922980b
·sjplimp on Oct 5 2015, 17:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14092 f3b2605a-c512-4ea7…
5fa97f537abd
·sjplimp on Oct 5 2015, 17:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14091 f3b2605a-c512-4ea7…
fa6ad89b99ab
·sjplimp on Oct 5 2015, 17:20.
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bee7ed920a2c
·sjplimp on Oct 5 2015, 17:19.
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0e398e5e65e4
·sjplimp on Oct 5 2015, 17:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14088 f3b2605a-c512-4ea7…
56ee1b670b3b
·sjplimp on Oct 5 2015, 17:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14087 f3b2605a-c512-4ea7…
6f038ab6d04d
·sjplimp on Oct 5 2015, 17:10.

Oct 2 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14086 f3b2605a-c512-4ea7…
3f3165af39fd
·sjplimp on Oct 2 2015, 21:54.

Oct 1 2015

Fixed negligible error in Tersoff and COMB
e5514189ba45
·athomps on Oct 1 2015, 01:00.

Sep 28 2015

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858eed24383c
·sjplimp on Sep 28 2015, 14:38.
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89ea1e4ae6d8
·sjplimp on Sep 28 2015, 14:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14082 f3b2605a-c512-4ea7…
a6d7932ef46a
·sjplimp on Sep 28 2015, 14:37.
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4d4d56175a68
·sjplimp on Sep 28 2015, 14:29.
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615657899c78
·sjplimp on Sep 28 2015, 14:29.

Sep 25 2015

Tweak to Kokkos Cuda Makefile allowing it to automatically find the nvcc wrapper
4f4ba3f7bf3e
·stamoor on Sep 25 2015, 20:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14077 f3b2605a-c512-4ea7…
27c4accd4fee
·sjplimp on Sep 25 2015, 00:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14076 f3b2605a-c512-4ea7…
f384db5c2eee
·sjplimp on Sep 25 2015, 00:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14075 f3b2605a-c512-4ea7…
61649b57d0ed
·sjplimp on Sep 25 2015, 00:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14074 f3b2605a-c512-4ea7…
8fd8c25e7c3f
·sjplimp on Sep 25 2015, 00:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14073 f3b2605a-c512-4ea7…
663551ee9f0f
·sjplimp on Sep 25 2015, 00:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14072 f3b2605a-c512-4ea7…
d2a2124b5678
·sjplimp on Sep 25 2015, 00:48.

Sep 24 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14071 f3b2605a-c512-4ea7…
ef4e8f288aa4
·sjplimp on Sep 24 2015, 22:57.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14069 f3b2605a-c512-4ea7…
df7687fcc18e
·sjplimp on Sep 24 2015, 22:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14068 f3b2605a-c512-4ea7…
9bdec3026069
·sjplimp on Sep 24 2015, 22:44.
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·sjplimp on Sep 24 2015, 22:44.
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aec30b07c2c3
·sjplimp on Sep 24 2015, 22:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14065 f3b2605a-c512-4ea7…
d2ee16c936ce
·sjplimp on Sep 24 2015, 22:35.