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Diffusion lammps (lammm-master-deprecated) Graph

lammps/src/MC
lammm-master-deprecated

History Graph

CommitAuthorDetailsCommitted
958e3e6a80e7sjplimp
sync with Git 
Aug 30 2016
f735a669ad01athomps
Fixed bug in qtype bugfix 
Jun 30 2016
0f3e4182e869sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7… 
Jun 7 2016
876b033ea862sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7… 
May 31 2016
71c36003b934athomps
Added Axel's improvement 
May 26 2016
97b8a30b72c8athomps
Blocked fix rigid 
May 25 2016
212f64d2f16fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15040 f3b2605a-c512-4ea7… 
May 12 2016
e18f5a903bbasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14835 f3b2605a-c512-4ea7… 
Apr 15 2016
eb8fdc4ab680sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14831 f3b2605a-c512-4ea7… 
Apr 15 2016
b2e792d6ac80athomps
fixed problem with exclusion 
Feb 29 2016
737c083a4f3fathomps
Enabled triclinic cells 
Feb 26 2016
70aa37e4c852sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14589 f3b2605a-c512-4ea7… 
Feb 15 2016
9e20448834a5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14582 f3b2605a-c512-4ea7… 
Feb 8 2016
921bcfb12d17athomps
Allowed non-full_energy with triclinic 
Dec 12 2015
da1a3ac83af4athomps
Fixed error in onemols initialization when gcmc uses non-first molecule template 
Nov 12 2015
354e20f43157sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7… 
Oct 30 2015
4ce32a301c7dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14156 f3b2605a-c512-4ea7… 
Oct 21 2015
bc1cf9965e75sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14155 f3b2605a-c512-4ea7… 
Oct 21 2015
9a878cdd6718sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7… 
Oct 21 2015
7b16c435b6c2athomps
Made molecule ID for molecule group to minus 1 
Oct 19 2015
ce6210557023athomps
Require type argument be zero when mol keyword used 
Oct 15 2015
537e951c6d8dathomps
added tfac_insert keyword and changed molecule insertion velocities PRNG 
Oct 13 2015
448b9f66f0fasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14058 f3b2605a-c512-4ea7… 
Sep 24 2015
ed7559f32957athomps
Made insertion work correctly for triclinic 
Sep 12 2015
5cbf3cfba5f1athomps
Fixed triclinic bug in gcmc and qtype bug atom/swap 
Sep 12 2015
54210d7a9b2fathomps
Fixed triclinic bug in gcmc and qtype bug atom/swap 
Sep 11 2015
4b03a29c04e5athomps
Fixed molecule mass when gcmc offset applied 
Aug 10 2015
354ee97d351eathomps
Added fix gcmc check to init() 
Aug 2 2015
e52b320061bdathomps
Enabled Coulombic pair styles without energy_full 
Jul 8 2015
c368b5f9889dathomps
Added protection against using charges without full_energy 
Jul 8 2015
8749c91a3ce8athomps
Changed algorithm for generating rotation axis 
Jul 7 2015
f03b5a8036faathomps
Fixed problem with image flags in attempt_molecule_insertion_full() and cleaned… 
Jul 7 2015
d9be5d7d63d3athomps
Switched some inside() checks to inside_nonperiodic() checks 
May 18 2015
bff094784db4athomps
Added error message to list 
May 18 2015
26c09979f3b0athomps
Added inside box check for fix_gcmc moves 
May 16 2015
aef75ace77e7athomps
Added inside box check for fix_gcmc moves 
May 16 2015
d2f90c7e0c6dathomps
Added intra_energy keyword 
May 12 2015
720490cfa461athomps
Added group keywords to fix gcmc, fixed destructor 
May 12 2015
0c0441b870a0athomps
Added group keywords to fix gcmc 
May 8 2015
5779fc409753athomps
Added group keywords to fix gcmc 
May 8 2015
73a87e7923d4athomps
Added group keywords to fix gcmc 
May 8 2015
1f6a1f4ad4f1pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13298 f3b2605a-c512-4ea7… 
Mar 25 2015
f07750fa88aesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13291 f3b2605a-c512-4ea7… 
Mar 25 2015
1d7421d4122csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13284 f3b2605a-c512-4ea7… 
Mar 24 2015
ac0b1d1ac371sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13280 f3b2605a-c512-4ea7… 
Mar 24 2015
94d653c282cesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13277 f3b2605a-c512-4ea7… 
Mar 24 2015
a71d94841a89pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13276 f3b2605a-c512-4ea7… 
Mar 23 2015
ccda7e01096dpscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13275 f3b2605a-c512-4ea7… 
Mar 23 2015
472b4fd62b9apscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13168 f3b2605a-c512-4ea7… 
Feb 28 2015
392342bb02cbpscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13136 f3b2605a-c512-4ea7… 
Feb 20 2015
00834f6d844csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13127 f3b2605a-c512-4ea7… 
Feb 19 2015
4682db87f2ccpscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13097 f3b2605a-c512-4ea7… 
Feb 13 2015
c2711f2595f1pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13090 f3b2605a-c512-4ea7… 
Feb 11 2015
ca01c0bd977epscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13089 f3b2605a-c512-4ea7… 
Feb 10 2015
fd89b16663e0pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13076 f3b2605a-c512-4ea7… 
Feb 6 2015
bd600792ac56sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13046 f3b2605a-c512-4ea7… 
Feb 4 2015
232f1b388041pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13024 f3b2605a-c512-4ea7… 
Feb 3 2015
ba373d0df9e4pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13023 f3b2605a-c512-4ea7… 
Feb 3 2015
4677f0813bd0pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13022 f3b2605a-c512-4ea7… 
Feb 3 2015
52bdcffbd274pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13021 f3b2605a-c512-4ea7… 
Feb 2 2015
18b5c363c255pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13007 f3b2605a-c512-4ea7… 
Jan 30 2015
1ce6e5b36180pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13006 f3b2605a-c512-4ea7… 
Jan 30 2015
a18137eb74acpscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13004 f3b2605a-c512-4ea7… 
Jan 29 2015
e69b000a3a4epscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13003 f3b2605a-c512-4ea7… 
Jan 29 2015
e7a157c4002fpscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13002 f3b2605a-c512-4ea7… 
Jan 29 2015
aaf6ffd41ecbpscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13001 f3b2605a-c512-4ea7… 
Jan 29 2015
53b2a08d9c28pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13000 f3b2605a-c512-4ea7… 
Jan 29 2015
86daf16069dcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12996 f3b2605a-c512-4ea7… 
Jan 28 2015
c35fbfe2bfb9pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12992 f3b2605a-c512-4ea7… 
Jan 27 2015
ff71181ae2c3pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12987 f3b2605a-c512-4ea7… 
Jan 23 2015
05a0275791d3pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12986 f3b2605a-c512-4ea7… 
Jan 23 2015
4a975dd8cf07sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7… 
Jan 20 2015
72ac6ea85400sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12956 f3b2605a-c512-4ea7… 
Jan 20 2015
c91903505083pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12948 f3b2605a-c512-4ea7… 
Jan 19 2015
8e4b5a135c7csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12870 f3b2605a-c512-4ea7… 
Jan 5 2015
1b31895cee10sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12861 f3b2605a-c512-4ea7… 
Jan 5 2015
973b24564e7esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12751 f3b2605a-c512-4ea7… 
Nov 20 2014
bbdb288175ccsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12664 f3b2605a-c512-4ea7… 
Oct 30 2014
7518fae9bcffsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7… 
Oct 21 2014
6efe4bc1a2e4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12626 f3b2605a-c512-4ea7… 
Oct 9 2014
251660040393sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12579 f3b2605a-c512-4ea7… 
Oct 1 2014
c1e12f950867sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12285 f3b2605a-c512-4ea7… 
Aug 8 2014
2cca37351548sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12253 f3b2605a-c512-4ea7… 
Aug 6 2014
7e875a1ef355pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12177 f3b2605a-c512-4ea7… 
Jul 10 2014
33186b6ad4e2pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12176 f3b2605a-c512-4ea7… 
Jul 10 2014
a5856e9d3e65sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12162 f3b2605a-c512-4ea7… 
Jun 28 2014
3b1a73c3bd83sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12151 f3b2605a-c512-4ea7… 
Jun 27 2014
80a5640cc29esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11974 f3b2605a-c512-4ea7… 
May 13 2014
8bee4ef5966asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11907 f3b2605a-c512-4ea7… 
May 2 2014
1e40c52c97c8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11849 f3b2605a-c512-4ea7… 
Apr 30 2014
f461504c9398sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11829 f3b2605a-c512-4ea7… 
Apr 18 2014
d0d5c6437c5fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11824 f3b2605a-c512-4ea7… 
Apr 18 2014
257f5b6c2d6dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11818 f3b2605a-c512-4ea7… 
Apr 18 2014
63bf83c6dfbasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11807 f3b2605a-c512-4ea7… 
Apr 17 2014
b46ec2206e7asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11802 f3b2605a-c512-4ea7… 
Apr 17 2014
a615914030d9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11801 f3b2605a-c512-4ea7… 
Apr 17 2014
42bb280cf9f0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11799 f3b2605a-c512-4ea7… 
Apr 16 2014
2d77df2ec297sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11798 f3b2605a-c512-4ea7… 
Apr 16 2014
bcd91423db61sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11797 f3b2605a-c512-4ea7… 
Apr 16 2014
9807630aa9ebsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11795 f3b2605a-c512-4ea7… 
Apr 15 2014
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