Diffusion lammps (master) History

History
master9a878cdd6718f4a814f27b4…

Oct 21 2015

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.
''
87025c6770fd
·sjplimp on Sep 24 2015, 22:44.
''
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.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14064 f3b2605a-c512-4ea7…
546186739cec
·sjplimp on Sep 24 2015, 22:34.
''
c622ab1e6df4
·sjplimp on Sep 24 2015, 22:29.
''
ac2ab62f03f9
·sjplimp on Sep 24 2015, 22:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14061 f3b2605a-c512-4ea7…
53a8a038e82b
·sjplimp on Sep 24 2015, 22:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14060 f3b2605a-c512-4ea7…
44c8bb9cbf2c
·sjplimp on Sep 24 2015, 22:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14059 f3b2605a-c512-4ea7…
6f39a0a78d86
·sjplimp on Sep 24 2015, 22:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14058 f3b2605a-c512-4ea7…
448b9f66f0fa
·sjplimp on Sep 24 2015, 22:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14057 f3b2605a-c512-4ea7…
2ed7d366a693
·sjplimp on Sep 24 2015, 22:16.
''
ea547aaf79c9
·sjplimp on Sep 24 2015, 22:02.
''
787cc145e8e0
·sjplimp on Sep 24 2015, 22:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14054 f3b2605a-c512-4ea7…
70128bfb92ac
·sjplimp on Sep 24 2015, 22:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14053 f3b2605a-c512-4ea7…
a6ff24caa3fb
·sjplimp on Sep 24 2015, 22:01.
Slight tweak to Kokkos Cuda Makefile
0cc260a1aff4
·stamoor on Sep 24 2015, 01:06.

Sep 23 2015

Kokkos bugfix
cb971f016601
·stamoor on Sep 23 2015, 20:10.
Modifed ZBL to accomodate mixing
d472396a465c
·athomps on Sep 23 2015, 02:43.
Modifed ZBL to accomodate mixing
06bb2fb761f6
·athomps on Sep 23 2015, 02:31.
Modifed ZBL to accomodate mixing
4f6a6f37cb2a
·athomps on Sep 23 2015, 02:30.
Modifed ZBL to accomodate mixing
fe3c6670f6b4
·athomps on Sep 23 2015, 02:30.

Sep 18 2015

Fixed problem with read_dump xyz
ca55525283f0
·athomps on Sep 18 2015, 23:16.
Tweaked bit about thermostats
b9a5521bb11c
·athomps on Sep 18 2015, 22:36.

Sep 12 2015

Made insertion work correctly for triclinic
ed7559f32957
·athomps on Sep 12 2015, 18:41.
''
67771a01fb5a
·sjplimp on Sep 12 2015, 01:39.
''
79e54786e7d4
·sjplimp on Sep 12 2015, 01:39.
Fixed triclinic bug in gcmc and qtype bug atom/swap
5cbf3cfba5f1
·athomps on Sep 12 2015, 01:09.
Fixed triclinic bug in gcmc and qtype bug atom/swap
0da2e1782b87
·athomps on Sep 12 2015, 01:08.
Fixed triclinic bug in gcmc and qtype bug atom/swap
886e1700986a
·athomps on Sep 12 2015, 00:08.

Sep 11 2015

Fixed triclinic bug in gcmc and qtype bug atom/swap
54210d7a9b2f
·athomps on Sep 11 2015, 23:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14033 f3b2605a-c512-4ea7…
66566c56d637
·sjplimp on Sep 11 2015, 17:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14032 f3b2605a-c512-4ea7…
41ef5b75a95a
·sjplimp on Sep 11 2015, 17:05.
''
fa8776172b7f
·sjplimp on Sep 11 2015, 17:05.
''
bef809becaaf
·sjplimp on Sep 11 2015, 17:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14029 f3b2605a-c512-4ea7…
d32cd3cf51ee
·sjplimp on Sep 11 2015, 17:03.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14028 f3b2605a-c512-4ea7…
d9d9a2a496f2
·sjplimp on Sep 11 2015, 16:54.
''
3561a54e47b0
·sjplimp on Sep 11 2015, 16:50.
''
4035556ffa34
·sjplimp on Sep 11 2015, 16:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14025 f3b2605a-c512-4ea7…
9effcca0df71
·sjplimp on Sep 11 2015, 16:49.

Sep 9 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14023 f3b2605a-c512-4ea7…
b1090f86898b
·sjplimp on Sep 9 2015, 16:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14022 f3b2605a-c512-4ea7…
8fe7c3d47f76
·sjplimp on Sep 9 2015, 16:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14021 f3b2605a-c512-4ea7…
ebbc55b98892
·sjplimp on Sep 9 2015, 16:04.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14017 f3b2605a-c512-4ea7…
819dbd184ae6
·sjplimp on Sep 9 2015, 02:02.

Historymaster9a878cdd6718f4a814f27b4…

Oct 21 2015

Oct 19 2015

Oct 16 2015

Oct 15 2015

Oct 13 2015

Oct 7 2015

Oct 5 2015

Oct 2 2015

Oct 1 2015

Sep 28 2015

Sep 25 2015

Sep 24 2015

Sep 23 2015

Sep 18 2015

Sep 12 2015

Sep 11 2015

Sep 9 2015

History
master9a878cdd6718f4a814f27b4…