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Diffusion lammps (lammm-master-deprecated) Graph

lammps/src/MC/fix_gcmc.cpp
lammm-master-deprecated

History Graph

CommitAuthorDetailsCommitted
90d22706cccdAnders Hafreager
Fixed initialization of arrays in computes/fixes in MC package 
Aug 25 2016
edb8cfcb6a85Axel Kohlmeyer
improve check for fix rigid in fix gcmc to flag incompatibility 
May 25 2016
eecee57de649Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
May 25 2016
97b8a30b72c8athomps
Blocked fix rigid 
May 25 2016
068898765ab5Axel Kohlmeyer
second round of making per-atom allocations consistent. 
May 13 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
f81130561eb4Axel Kohlmeyer
make certain that "nevery" flags have sane values 
Apr 15 2016
aaea1726ebd5Axel Kohlmeyer
avoid segfault due to using a class after it was deleted 
Apr 11 2016
b2e792d6ac80athomps
fixed problem with exclusion 
Feb 29 2016
737c083a4f3fathomps
Enabled triclinic cells 
Feb 26 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
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
ed7559f32957athomps
Made insertion work correctly for triclinic 
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
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
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Mar 25 2015
f07750fa88aesjplimp
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Mar 25 2015
a71d94841a89pscrozi
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Mar 23 2015
00834f6d844csjplimp
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Feb 19 2015
4682db87f2ccpscrozi
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Feb 13 2015
fd89b16663e0pscrozi
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Feb 6 2015
232f1b388041pscrozi
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Feb 3 2015
1ce6e5b36180pscrozi
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Jan 30 2015
a18137eb74acpscrozi
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Jan 29 2015
e7a157c4002fpscrozi
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Jan 29 2015
53b2a08d9c28pscrozi
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Jan 29 2015
86daf16069dcsjplimp
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Jan 28 2015
05a0275791d3pscrozi
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Jan 23 2015
6efe4bc1a2e4sjplimp
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Oct 9 2014
7e875a1ef355pscrozi
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Jul 10 2014
33186b6ad4e2pscrozi
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Jul 10 2014
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Jun 28 2014
8bee4ef5966asjplimp
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May 2 2014
1e40c52c97c8sjplimp
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Apr 30 2014
257f5b6c2d6dsjplimp
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Apr 18 2014
30b091db28d9pscrozi
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Feb 4 2014
a18390d61e70sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11358 f3b2605a-c512-4ea7… 
Jan 28 2014
0ce16af78b12sjplimp
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Jan 25 2014
127eb167c116sjplimp
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Jan 22 2014
bad19033d015sjplimp
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Jan 17 2014
a1ef01fc1ae2sjplimp
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Jan 14 2014
4f40cb9decd5sjplimp
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Jan 7 2014
b13218e58aa1pscrozi
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Dec 24 2013
8e179220ec17sjplimp
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Dec 17 2013
f37ae6cb7476sjplimp
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Jun 28 2013
9c29bb4224e3pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9805 f3b2605a-c512-4ea7… 
May 4 2013
44e5b9d4fffapscrozi
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Apr 30 2013
a741fcf859c2pscrozi
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Apr 12 2013
d2d9494a1c37pscrozi
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Apr 12 2013
dcd49dac4f1cpscrozi
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Apr 9 2013
87023e98bb27pscrozi
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Mar 27 2013
836502a3578apscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9716 f3b2605a-c512-4ea7… 
Mar 27 2013
0a97cb8e9a6apscrozi
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Mar 15 2013
d296cb9eb106pscrozi
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Mar 6 2013
a3d29c1665c5pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9596 f3b2605a-c512-4ea7… 
Mar 6 2013
a746d1ce48c6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9567 f3b2605a-c512-4ea7… 
Mar 5 2013
a5c6bfb1c587sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9566 f3b2605a-c512-4ea7… 
Mar 5 2013
bc70568865bapscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9148 f3b2605a-c512-4ea7… 
Dec 10 2012
0a042754e56fpscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9081 f3b2605a-c512-4ea7… 
Nov 16 2012
b1c7c64624bdpscrozi
Adding molecule capability to fix GCMC. 
Nov 13 2012
6be09326c074sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8558 f3b2605a-c512-4ea7… 
Aug 8 2012
ec87f00bff9apscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8522 f3b2605a-c512-4ea7… 
Aug 1 2012
3d999ea9fa53pscrozi
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8516 f3b2605a-c512-4ea7… 
Jul 31 2012
37d905578cf7pscrozi
Adding a domain remap after doing an MC particle move. This fixes a bug that… 
Jul 31 2012
ef9e70054573sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7… 
Jun 7 2012
17be5191bef8sjplimp
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Jun 2 2012
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Jun 1 2012
f884a7ec8574sjplimp
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Feb 1 2012
f90ce18f3db4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7133 f3b2605a-c512-4ea7… 
Oct 20 2011
19e8c92a906esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7… 
Sep 23 2011
3a9ba7dd2837sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6796 f3b2605a-c512-4ea7… 
Aug 25 2011
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