History Graph
History Graph
Commit | Author | Details | Committed | |||
---|---|---|---|---|---|---|
0be2cd3d432d | Axel Kohlmeyer | fix bug reported on lammps-users, when not using the first molecule template | May 31 2017 | |||
cff4e4a83744 | sjplimp/GitHub | Merge pull request #468 from andeplane/gcmc_fix_nlocal | May 30 2017 | |||
914848433a9e | Anders Hafreager | Using correct value for atom->nlocal | May 1 2017 | |||
67fced37c826 | Anders Hafreager | Setting molecule COM to 0 after moving atoms | Apr 26 2017 | |||
2f32fb7f8bda | Steve Plimpton | patch 13Apr17 | Apr 13 2017 | |||
49dd9449b875 | Steve Plimpton | fix gcmc updates from Aidan, trimming of output for replica commands | Apr 11 2017 | |||
1d8f0c762d2c | Axel Kohlmeyer | Merge branch 'master' into fixes-for-stable | Mar 28 2017 | |||
111d350a223f | Steve Plimpton | fix gcmc units change for chemical potential | Mar 28 2017 | |||
c041727e4fed | Axel Kohlmeyer | remove dead code and reduce trivial compiler warnings (clang++) | Mar 27 2017 | |||
44841f689127 | Steve Plimpton | fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof | Mar 23 2017 | |||
dcede304dff9 | Steve Plimpton | changes for next patch, 2d disc options for spheres, fix external upgrade, bug… | Mar 21 2017 | |||
1cd4c48cccdb | Steve Plimpton | new SNAP potential for W | Feb 21 2017 | |||
2c8a7a318a4a | Steve Plimpton | bug fix for fix GCMC w/ fix shake, enhance of fix wall/gran/region with… | Oct 14 2016 | |||
958e3e6a80e7 | sjplimp | sync with Git | Aug 30 2016 | |||
876b033ea862 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7… | May 31 2016 | |||
71c36003b934 | athomps | Added Axel's improvement | May 26 2016 | |||
97b8a30b72c8 | athomps | Blocked fix rigid | May 25 2016 | |||
e18f5a903bba | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14835 f3b2605a-c512-4ea7… | Apr 15 2016 | |||
eb8fdc4ab680 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14831 f3b2605a-c512-4ea7… | Apr 15 2016 | |||
b2e792d6ac80 | athomps | fixed problem with exclusion | Feb 29 2016 | |||
737c083a4f3f | athomps | Enabled triclinic cells | Feb 26 2016 | |||
921bcfb12d17 | athomps | Allowed non-full_energy with triclinic | Dec 12 2015 | |||
da1a3ac83af4 | athomps | Fixed error in onemols initialization when gcmc uses non-first molecule template | Nov 12 2015 | |||
354e20f43157 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7… | Oct 30 2015 | |||
9a878cdd6718 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7… | Oct 21 2015 | |||
7b16c435b6c2 | athomps | Made molecule ID for molecule group to minus 1 | Oct 19 2015 | |||
ce6210557023 | athomps | Require type argument be zero when mol keyword used | Oct 15 2015 | |||
537e951c6d8d | athomps | added tfac_insert keyword and changed molecule insertion velocities PRNG | Oct 13 2015 | |||
ed7559f32957 | athomps | Made insertion work correctly for triclinic | Sep 12 2015 | |||
54210d7a9b2f | athomps | Fixed triclinic bug in gcmc and qtype bug atom/swap | Sep 11 2015 | |||
4b03a29c04e5 | athomps | Fixed molecule mass when gcmc offset applied | Aug 10 2015 | |||
354ee97d351e | athomps | Added fix gcmc check to init() | Aug 2 2015 | |||
e52b320061bd | athomps | Enabled Coulombic pair styles without energy_full | Jul 8 2015 | |||
c368b5f9889d | athomps | Added protection against using charges without full_energy | Jul 8 2015 | |||
8749c91a3ce8 | athomps | Changed algorithm for generating rotation axis | Jul 7 2015 | |||
f03b5a8036fa | athomps | Fixed problem with image flags in attempt_molecule_insertion_full() and cleaned… | Jul 7 2015 | |||
d9be5d7d63d3 | athomps | Switched some inside() checks to inside_nonperiodic() checks | May 18 2015 | |||
aef75ace77e7 | athomps | Added inside box check for fix_gcmc moves | May 16 2015 | |||
d2f90c7e0c6d | athomps | Added intra_energy keyword | May 12 2015 | |||
720490cfa461 | athomps | Added group keywords to fix gcmc, fixed destructor | May 12 2015 | |||
0c0441b870a0 | athomps | Added group keywords to fix gcmc | May 8 2015 | |||
5779fc409753 | athomps | Added group keywords to fix gcmc | May 8 2015 | |||
73a87e7923d4 | athomps | Added group keywords to fix gcmc | May 8 2015 | |||
1f6a1f4ad4f1 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13298 f3b2605a-c512-4ea7… | Mar 25 2015 | |||
f07750fa88ae | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13291 f3b2605a-c512-4ea7… | Mar 25 2015 | |||
a71d94841a89 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13276 f3b2605a-c512-4ea7… | Mar 23 2015 | |||
00834f6d844c | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13127 f3b2605a-c512-4ea7… | Feb 19 2015 | |||
4682db87f2cc | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13097 f3b2605a-c512-4ea7… | Feb 13 2015 | |||
fd89b16663e0 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13076 f3b2605a-c512-4ea7… | Feb 6 2015 | |||
232f1b388041 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13024 f3b2605a-c512-4ea7… | Feb 3 2015 | |||
1ce6e5b36180 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13006 f3b2605a-c512-4ea7… | Jan 30 2015 | |||
a18137eb74ac | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13004 f3b2605a-c512-4ea7… | Jan 29 2015 | |||
e7a157c4002f | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13002 f3b2605a-c512-4ea7… | Jan 29 2015 | |||
53b2a08d9c28 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13000 f3b2605a-c512-4ea7… | Jan 29 2015 | |||
86daf16069dc | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12996 f3b2605a-c512-4ea7… | Jan 28 2015 | |||
05a0275791d3 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12986 f3b2605a-c512-4ea7… | Jan 23 2015 | |||
6efe4bc1a2e4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12626 f3b2605a-c512-4ea7… | Oct 9 2014 | |||
7e875a1ef355 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12177 f3b2605a-c512-4ea7… | Jul 10 2014 | |||
33186b6ad4e2 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12176 f3b2605a-c512-4ea7… | Jul 10 2014 | |||
a5856e9d3e65 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12162 f3b2605a-c512-4ea7… | Jun 28 2014 | |||
8bee4ef5966a | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11907 f3b2605a-c512-4ea7… | May 2 2014 | |||
1e40c52c97c8 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11849 f3b2605a-c512-4ea7… | Apr 30 2014 | |||
257f5b6c2d6d | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11818 f3b2605a-c512-4ea7… | Apr 18 2014 | |||
30b091db28d9 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11475 f3b2605a-c512-4ea7… | Feb 4 2014 | |||
a18390d61e70 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11358 f3b2605a-c512-4ea7… | Jan 28 2014 | |||
0ce16af78b12 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11328 f3b2605a-c512-4ea7… | Jan 25 2014 | |||
127eb167c116 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11293 f3b2605a-c512-4ea7… | Jan 22 2014 | |||
bad19033d015 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11250 f3b2605a-c512-4ea7… | Jan 17 2014 | |||
a1ef01fc1ae2 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7… | Jan 14 2014 | |||
4f40cb9decd5 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11149 f3b2605a-c512-4ea7… | Jan 7 2014 | |||
b13218e58aa1 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11136 f3b2605a-c512-4ea7… | Dec 24 2013 | |||
8e179220ec17 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11115 f3b2605a-c512-4ea7… | Dec 17 2013 | |||
f37ae6cb7476 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10161 f3b2605a-c512-4ea7… | Jun 28 2013 | |||
9c29bb4224e3 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9805 f3b2605a-c512-4ea7… | May 4 2013 | |||
44e5b9d4fffa | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9803 f3b2605a-c512-4ea7… | Apr 30 2013 | |||
a741fcf859c2 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9771 f3b2605a-c512-4ea7… | Apr 12 2013 | |||
d2d9494a1c37 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9770 f3b2605a-c512-4ea7… | Apr 12 2013 | |||
dcd49dac4f1c | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9767 f3b2605a-c512-4ea7… | Apr 9 2013 | |||
87023e98bb27 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9717 f3b2605a-c512-4ea7… | Mar 27 2013 | |||
836502a3578a | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9716 f3b2605a-c512-4ea7… | Mar 27 2013 | |||
0a97cb8e9a6a | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9694 f3b2605a-c512-4ea7… | Mar 15 2013 | |||
d296cb9eb106 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9598 f3b2605a-c512-4ea7… | Mar 6 2013 | |||
a3d29c1665c5 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9596 f3b2605a-c512-4ea7… | Mar 6 2013 | |||
a746d1ce48c6 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9567 f3b2605a-c512-4ea7… | Mar 5 2013 | |||
a5c6bfb1c587 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9566 f3b2605a-c512-4ea7… | Mar 5 2013 | |||
bc70568865ba | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9148 f3b2605a-c512-4ea7… | Dec 10 2012 | |||
0a042754e56f | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9081 f3b2605a-c512-4ea7… | Nov 16 2012 | |||
b1c7c64624bd | pscrozi | Adding molecule capability to fix GCMC. | Nov 13 2012 | |||
6be09326c074 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8558 f3b2605a-c512-4ea7… | Aug 8 2012 | |||
ec87f00bff9a | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8522 f3b2605a-c512-4ea7… | Aug 1 2012 | |||
3d999ea9fa53 | pscrozi | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8516 f3b2605a-c512-4ea7… | Jul 31 2012 | |||
37d905578cf7 | pscrozi | Adding a domain remap after doing an MC particle move. This fixes a bug that… | Jul 31 2012 | |||
ef9e70054573 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7… | Jun 7 2012 | |||
17be5191bef8 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8216 f3b2605a-c512-4ea7… | Jun 2 2012 | |||
4990f2e53ddf | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8208 f3b2605a-c512-4ea7… | Jun 1 2012 | |||
f884a7ec8574 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7647 f3b2605a-c512-4ea7… | Feb 1 2012 | |||
f90ce18f3db4 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7133 f3b2605a-c512-4ea7… | Oct 20 2011 | |||
19e8c92a906e | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7… | Sep 23 2011 | |||
3a9ba7dd2837 | sjplimp | git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6796 f3b2605a-c512-4ea7… | Aug 25 2011 |
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