Diffusion lammps (efficient_neuronet) History

lammps/src/MC/fix_gcmc.cpp
efficient_neuronet76acb8caf15f6e32eacae63…

Aug 30 2016

sync with Git
958e3e6a80e7
·sjplimp on Aug 30 2016, 01:49.

May 31 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7…
876b033ea862
·sjplimp on May 31 2016, 18:33.

May 26 2016

Added Axel's improvement
71c36003b934
·athomps on May 26 2016, 19:27.

May 25 2016

Blocked fix rigid
97b8a30b72c8
·athomps on May 25 2016, 01:31.

Apr 15 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14835 f3b2605a-c512-4ea7…
e18f5a903bba
·sjplimp on Apr 15 2016, 18:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14831 f3b2605a-c512-4ea7…
eb8fdc4ab680
·sjplimp on Apr 15 2016, 18:08.

Feb 29 2016

fixed problem with exclusion
b2e792d6ac80
·athomps on Feb 29 2016, 23:10.

Feb 26 2016

Enabled triclinic cells
737c083a4f3f
·athomps on Feb 26 2016, 00:12.

Dec 12 2015

Allowed non-full_energy with triclinic
921bcfb12d17
·athomps on Dec 12 2015, 00:15.

Nov 12 2015

Fixed error in onemols initialization when gcmc uses non-first molecule template
da1a3ac83af4
·athomps on Nov 12 2015, 00:39.

Oct 30 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7…
354e20f43157
·sjplimp on Oct 30 2015, 21:04.

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.

Oct 19 2015

Made molecule ID for molecule group to minus 1
7b16c435b6c2
·athomps on Oct 19 2015, 19:19.

Oct 15 2015

Require type argument be zero when mol keyword used
ce6210557023
·athomps on Oct 15 2015, 23:02.

Oct 13 2015

added tfac_insert keyword and changed molecule insertion velocities PRNG
537e951c6d8d
·athomps on Oct 13 2015, 17:54.

Sep 12 2015

Made insertion work correctly for triclinic
ed7559f32957
·athomps on Sep 12 2015, 18:41.

Sep 11 2015

Fixed triclinic bug in gcmc and qtype bug atom/swap
54210d7a9b2f
·athomps on Sep 11 2015, 23:47.

Aug 10 2015

Fixed molecule mass when gcmc offset applied
4b03a29c04e5
·athomps on Aug 10 2015, 04:57.

Aug 2 2015

Added fix gcmc check to init()
354ee97d351e
·athomps on Aug 2 2015, 01:04.

Jul 8 2015

Enabled Coulombic pair styles without energy_full
e52b320061bd
·athomps on Jul 8 2015, 06:06.
Added protection against using charges without full_energy
c368b5f9889d
·athomps on Jul 8 2015, 01:50.

Jul 7 2015

Changed algorithm for generating rotation axis
8749c91a3ce8
·athomps on Jul 7 2015, 20:41.
Fixed problem with image flags in attempt_molecule_insertion_full() and cleaned…
f03b5a8036fa
·athomps on Jul 7 2015, 18:43.

May 18 2015

Switched some inside() checks to inside_nonperiodic() checks
d9be5d7d63d3
·athomps on May 18 2015, 23:06.

May 16 2015

Added inside box check for fix_gcmc moves
aef75ace77e7
·athomps on May 16 2015, 00:41.

May 12 2015

Added intra_energy keyword
d2f90c7e0c6d
·athomps on May 12 2015, 01:16.
Added group keywords to fix gcmc, fixed destructor
720490cfa461
·athomps on May 12 2015, 00:16.

May 8 2015

Added group keywords to fix gcmc
0c0441b870a0
·athomps on May 8 2015, 21:59.
Added group keywords to fix gcmc
5779fc409753
·athomps on May 8 2015, 19:21.
Added group keywords to fix gcmc
73a87e7923d4
·athomps on May 8 2015, 17:55.

Mar 25 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13298 f3b2605a-c512-4ea7…
1f6a1f4ad4f1
·pscrozi on Mar 25 2015, 20:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13291 f3b2605a-c512-4ea7…
f07750fa88ae
·sjplimp on Mar 25 2015, 17:08.

Mar 23 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13276 f3b2605a-c512-4ea7…
a71d94841a89
·pscrozi on Mar 23 2015, 19:04.

Feb 19 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13127 f3b2605a-c512-4ea7…
00834f6d844c
·sjplimp on Feb 19 2015, 19:23.

Feb 13 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13097 f3b2605a-c512-4ea7…
4682db87f2cc
·pscrozi on Feb 13 2015, 17:15.

Feb 6 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13076 f3b2605a-c512-4ea7…
fd89b16663e0
·pscrozi on Feb 6 2015, 21:55.

Feb 3 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13024 f3b2605a-c512-4ea7…
232f1b388041
·pscrozi on Feb 3 2015, 17:37.

Jan 30 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13006 f3b2605a-c512-4ea7…
1ce6e5b36180
·pscrozi on Jan 30 2015, 00:40.

Jan 29 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13004 f3b2605a-c512-4ea7…
a18137eb74ac
·pscrozi on Jan 29 2015, 19:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13002 f3b2605a-c512-4ea7…
e7a157c4002f
·pscrozi on Jan 29 2015, 18:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13000 f3b2605a-c512-4ea7…
53b2a08d9c28
·pscrozi on Jan 29 2015, 17:44.

Jan 28 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12996 f3b2605a-c512-4ea7…
86daf16069dc
·sjplimp on Jan 28 2015, 16:55.

Jan 23 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12986 f3b2605a-c512-4ea7…
05a0275791d3
·pscrozi on Jan 23 2015, 18:28.

Oct 9 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12626 f3b2605a-c512-4ea7…
6efe4bc1a2e4
·sjplimp on Oct 9 2014, 19:28.

Jul 10 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12177 f3b2605a-c512-4ea7…
7e875a1ef355
·pscrozi on Jul 10 2014, 21:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12176 f3b2605a-c512-4ea7…
33186b6ad4e2
·pscrozi on Jul 10 2014, 19:25.

Jun 28 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12162 f3b2605a-c512-4ea7…
a5856e9d3e65
·sjplimp on Jun 28 2014, 01:46.

May 2 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11907 f3b2605a-c512-4ea7…
8bee4ef5966a
·sjplimp on May 2 2014, 23:49.

Apr 30 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11849 f3b2605a-c512-4ea7…
1e40c52c97c8
·sjplimp on Apr 30 2014, 17:17.

Apr 18 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11818 f3b2605a-c512-4ea7…
257f5b6c2d6d
·sjplimp on Apr 18 2014, 15:57.

Feb 4 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11475 f3b2605a-c512-4ea7…
30b091db28d9
·pscrozi on Feb 4 2014, 23:24.

Jan 28 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11358 f3b2605a-c512-4ea7…
a18390d61e70
·sjplimp on Jan 28 2014, 23:19.

Jan 25 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11328 f3b2605a-c512-4ea7…
0ce16af78b12
·sjplimp on Jan 25 2014, 23:46.

Jan 22 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11293 f3b2605a-c512-4ea7…
127eb167c116
·sjplimp on Jan 22 2014, 18:44.

Jan 17 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7…
bad19033d015
·sjplimp on Jan 17 2014, 19:43.

Jan 14 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7…
a1ef01fc1ae2
·sjplimp on Jan 14 2014, 17:17.

Jan 7 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11149 f3b2605a-c512-4ea7…
4f40cb9decd5
·sjplimp on Jan 7 2014, 17:22.

Dec 24 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11136 f3b2605a-c512-4ea7…
b13218e58aa1
·pscrozi on Dec 24 2013, 18:46.

Dec 17 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11115 f3b2605a-c512-4ea7…
8e179220ec17
·sjplimp on Dec 17 2013, 01:22.

Jun 28 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7…
f37ae6cb7476
·sjplimp on Jun 28 2013, 21:06.

May 4 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9805 f3b2605a-c512-4ea7…
9c29bb4224e3
·pscrozi on May 4 2013, 00:53.

Apr 30 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9803 f3b2605a-c512-4ea7…
44e5b9d4fffa
·pscrozi on Apr 30 2013, 00:44.

Apr 12 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9771 f3b2605a-c512-4ea7…
a741fcf859c2
·pscrozi on Apr 12 2013, 01:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9770 f3b2605a-c512-4ea7…
d2d9494a1c37
·pscrozi on Apr 12 2013, 00:09.

Apr 9 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9767 f3b2605a-c512-4ea7…
dcd49dac4f1c
·pscrozi on Apr 9 2013, 22:04.

Mar 27 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9717 f3b2605a-c512-4ea7…
87023e98bb27
·pscrozi on Mar 27 2013, 23:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9716 f3b2605a-c512-4ea7…
836502a3578a
·pscrozi on Mar 27 2013, 23:16.

Mar 15 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9694 f3b2605a-c512-4ea7…
0a97cb8e9a6a
·pscrozi on Mar 15 2013, 01:14.

Mar 6 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9598 f3b2605a-c512-4ea7…
d296cb9eb106
·pscrozi on Mar 6 2013, 22:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9596 f3b2605a-c512-4ea7…
a3d29c1665c5
·pscrozi on Mar 6 2013, 20:58.

Mar 5 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9567 f3b2605a-c512-4ea7…
a746d1ce48c6
·sjplimp on Mar 5 2013, 01:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9566 f3b2605a-c512-4ea7…
a5c6bfb1c587
·sjplimp on Mar 5 2013, 00:09.

Dec 10 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9148 f3b2605a-c512-4ea7…
bc70568865ba
·pscrozi on Dec 10 2012, 20:13.

Nov 16 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9081 f3b2605a-c512-4ea7…
0a042754e56f
·pscrozi on Nov 16 2012, 20:15.

Nov 13 2012

Adding molecule capability to fix GCMC.
b1c7c64624bd
·pscrozi on Nov 13 2012, 22:45.

Aug 8 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8558 f3b2605a-c512-4ea7…
6be09326c074
·sjplimp on Aug 8 2012, 16:16.

Aug 1 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8522 f3b2605a-c512-4ea7…
ec87f00bff9a
·pscrozi on Aug 1 2012, 17:19.

Jul 31 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8516 f3b2605a-c512-4ea7…
3d999ea9fa53
·pscrozi on Jul 31 2012, 23:55.
Adding a domain remap after doing an MC particle move. This fixes a bug that…
37d905578cf7
·pscrozi on Jul 31 2012, 19:55.

Jun 7 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7…
ef9e70054573
·sjplimp on Jun 7 2012, 00:47.

Jun 2 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8216 f3b2605a-c512-4ea7…
17be5191bef8
·sjplimp on Jun 2 2012, 01:29.

Jun 1 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8208 f3b2605a-c512-4ea7…
4990f2e53ddf
·sjplimp on Jun 1 2012, 21:38.

Feb 1 2012

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7647 f3b2605a-c512-4ea7…
f884a7ec8574
·sjplimp on Feb 1 2012, 17:27.

Oct 20 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7133 f3b2605a-c512-4ea7…
f90ce18f3db4
·sjplimp on Oct 20 2011, 02:11.

Sep 23 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7…
19e8c92a906e
·sjplimp on Sep 23 2011, 20:06.

Aug 25 2011

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6796 f3b2605a-c512-4ea7…
3a9ba7dd2837
·sjplimp on Aug 25 2011, 17:30.