Diffusion lammps (master) History

lammps/src
master90100b4eb02a31900fbad9b…

Dec 9 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14319 f3b2605a-c512-4ea7…
90100b4eb02a
·sjplimp on Dec 9 2015, 18:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14318 f3b2605a-c512-4ea7…
c2db79391f9c
·sjplimp on Dec 9 2015, 18:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14317 f3b2605a-c512-4ea7…
21260340e42b
·sjplimp on Dec 9 2015, 18:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14308 f3b2605a-c512-4ea7…
a473a42a9c3c
·sjplimp on Dec 9 2015, 17:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14307 f3b2605a-c512-4ea7…
1860c2d764a8
·sjplimp on Dec 9 2015, 16:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14301 f3b2605a-c512-4ea7…
b13f9b8c675b
·sjplimp on Dec 9 2015, 00:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14294 f3b2605a-c512-4ea7…
6000ad1bb77b
·sjplimp on Dec 9 2015, 00:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14290 f3b2605a-c512-4ea7…
7e710a0fe3bf
·sjplimp on Dec 9 2015, 00:13.

Dec 5 2015

Simplified non-overlap condition
32acf721464b
·athomps on Dec 5 2015, 04:32.
Cleaned up sna factorial table
9ae8b64f9a5c
·athomps on Dec 5 2015, 04:31.
prevented reorder from being used with fix gcmc
5087bdb20c59
·athomps on Dec 5 2015, 04:28.
removed print statement
f7702fd7e388
·athomps on Dec 5 2015, 04:27.

Dec 4 2015

Added missing normalization to vector case
2271d9168e52
·athomps on Dec 4 2015, 22:56.
Fixed error in average option
d241f928c85b
·athomps on Dec 4 2015, 20:29.
Fixed error in average option
28e3ebfd102e
·athomps on Dec 4 2015, 20:06.

Dec 3 2015

Fixed problem in column_length(int)
853eab89178f
·athomps on Dec 3 2015, 23:57.

Dec 2 2015

Added average keyword
00738a8baa2b
·athomps on Dec 2 2015, 06:06.

Dec 1 2015

Fixed undefined tdof in setup
3ca986fc6ad9
·athomps on Dec 1 2015, 22:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14276 f3b2605a-c512-4ea7…
e99393473295
·sjplimp on Dec 1 2015, 15:32.

Nov 21 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14271 f3b2605a-c512-4ea7…
355ba86d8b8a
·sjplimp on Nov 21 2015, 01:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14270 f3b2605a-c512-4ea7…
b10ae0abaf08
·sjplimp on Nov 21 2015, 01:35.

Nov 18 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14266 f3b2605a-c512-4ea7…
77f8955d4ec4
·sjplimp on Nov 18 2015, 19:23.
Changed the factorial table to static member
f496b51d5653
·athomps on Nov 18 2015, 00:10.

Nov 17 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14258 f3b2605a-c512-4ea7…
99c4b4cb2236
·sjplimp on Nov 17 2015, 22:43.
Updated compute hexorder/atom, added compute orientorder/atom
27798d4f4ec5
·athomps on Nov 17 2015, 00:14.

Nov 16 2015

Updated compute hexorder/atom, added compute orientorder/atom
c28bd3c3ff2b
·athomps on Nov 16 2015, 23:37.
Updated compute hexorder/atom, added compute orientorder/atom
9dc8102ac4a3
·athomps on Nov 16 2015, 18:45.

Nov 15 2015

Updated compute hexorder/atom, added compute orientorder/atom
70aba85d3130
·athomps on Nov 15 2015, 23:34.

Nov 12 2015

Fixed error in onemols initialization when gcmc uses non-first molecule template
da1a3ac83af4
·athomps on Nov 12 2015, 00:39.
Fixed uninitialized variable for multiple molecule in set
4c19f6060626
·athomps on Nov 12 2015, 00:37.

Nov 10 2015

got rid of std:complex_literals i1
a61df922c3b8
·athomps on Nov 10 2015, 17:47.

Nov 7 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14245 f3b2605a-c512-4ea7…
6d6d8345bf00
·sjplimp on Nov 7 2015, 22:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14243 f3b2605a-c512-4ea7…
b741a7771217
·sjplimp on Nov 7 2015, 22:03.

Nov 5 2015

Added hexatic bond orientational order parameter
fa9af07140ba
·athomps on Nov 5 2015, 07:58.
Added hexatic bond orientational order parameter
3bc7350704d2
·athomps on Nov 5 2015, 07:53.
Added hexatic bond orientational order parameter
4f71701e4ef2
·athomps on Nov 5 2015, 02:33.
Added hexatic bond orientational order parameter
a91bbaf7f276
·athomps on Nov 5 2015, 00:56.

Nov 4 2015

Added hexatic bond orientational order parameter
f227080d703c
·athomps on Nov 4 2015, 06:18.

Oct 31 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14227 f3b2605a-c512-4ea7…
34e1f5c71e86
·sjplimp on Oct 31 2015, 00:45.

Oct 30 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14225 f3b2605a-c512-4ea7…
a2481116c573
·sjplimp on Oct 30 2015, 23:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14221 f3b2605a-c512-4ea7…
260d9f419260
·sjplimp on Oct 30 2015, 21:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7…
354e20f43157
·sjplimp on Oct 30 2015, 21:04.
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

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@14200 f3b2605a-c512-4ea7…
ff974eb07779
·sjplimp on Oct 23 2015, 19:16.
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@14191 f3b2605a-c512-4ea7…
021a327e851a
·sjplimp on Oct 23 2015, 02:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14187 f3b2605a-c512-4ea7…
9057c423506f
·sjplimp on Oct 23 2015, 02:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14180 f3b2605a-c512-4ea7…
b45a8bb7e3d9
·sjplimp on Oct 23 2015, 02:04.
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@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…
0eb2e8f9cb98
·sjplimp on Oct 23 2015, 00:56.
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@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.
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@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.
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@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.
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.
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.
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@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 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.
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 and changed molecule insertion velocities PRNG
537e951c6d8d
·athomps on Oct 13 2015, 17:54.

Oct 7 2015

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

Oct 5 2015

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.
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

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14082 f3b2605a-c512-4ea7…
a6d7932ef46a
·sjplimp on Sep 28 2015, 14:37.

lammps/srcmaster90100b4eb02a31900fbad9b…

Dec 9 2015

Dec 5 2015

Dec 4 2015

Dec 3 2015

Dec 2 2015

Dec 1 2015

Nov 21 2015

Nov 18 2015

Nov 17 2015

Nov 16 2015

Nov 15 2015

Nov 12 2015

Nov 10 2015

Nov 7 2015

Nov 5 2015

Nov 4 2015

Oct 31 2015

Oct 30 2015

Oct 23 2015

Oct 22 2015

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

lammps/src
master90100b4eb02a31900fbad9b…