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Diffusion lammps (lammm-devel) Graph

lammps/src/fix_nh.cpp
lammm-devel

History Graph

CommitAuthorDetailsCommitted
ee55a981032fStefan Paquay
Changed the check on initial and final temperature to <= 0 for both. 
Mar 28 2017
44841f689127Steve Plimpton
fix ave/chunk fixes, 2d disc option, fix_modify dynamic/dof 
Mar 23 2017
dcede304dff9Steve Plimpton
changes for next patch, 2d disc options for spheres, fix external upgrade, bug… 
Mar 21 2017
fdf5d68f9ffbAxel Kohlmeyer
allow to extract properties in NH integrator only when they are active 
Nov 14 2016
0c25f3b1d6d9Axel Kohlmeyer
whitespace cleanup 
Nov 14 2016
14c7cf419733Axel Kohlmeyer
retrieve target temperature and pressure from fix npt. add sanity checks. 
Nov 14 2016
d9891abdf4d5Steve Plimpton
new library functions 
Oct 27 2016
72c5792230bfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15615 f3b2605a-c512-4ea7… 
Sep 21 2016
958e3e6a80e7sjplimp
sync with Git 
Aug 30 2016
639ea6c39647sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15468 f3b2605a-c512-4ea7… 
Aug 10 2016
ae255c847bf7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15375 f3b2605a-c512-4ea7… 
Jul 28 2016
ddd85f006cc8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15369 f3b2605a-c512-4ea7… 
Jul 27 2016
84de575cc7eaathomps
fixed case where no axial components are active 
Jun 9 2016
0f3e4182e869sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7… 
Jun 7 2016
5f86c15dd224sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14895 f3b2605a-c512-4ea7… 
Apr 27 2016
984a1afa7210sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14449 f3b2605a-c512-4ea7… 
Jan 15 2016
3ca986fc6ad9athomps
Fixed undefined tdof in setup 
Dec 1 2015
354e20f43157sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7… 
Oct 30 2015
066e7598c9b6athomps
Fixed problem with box flips under NVT 
Oct 22 2015
546186739cecsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14064 f3b2605a-c512-4ea7… 
Sep 24 2015
b7ece0fb5183sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12693 f3b2605a-c512-4ea7… 
Nov 17 2014
a9906d102356sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12631 f3b2605a-c512-4ea7… 
Oct 10 2014
13ebe937e2cfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12630 f3b2605a-c512-4ea7… 
Oct 10 2014
7b64253516e5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12567 f3b2605a-c512-4ea7… 
Sep 26 2014
4455b66003cesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12207 f3b2605a-c512-4ea7… 
Jul 28 2014
32d641d3f970sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12000 f3b2605a-c512-4ea7… 
May 16 2014
48b8860e4391sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11888 f3b2605a-c512-4ea7… 
May 2 2014
5e1d34a23d50sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11617 f3b2605a-c512-4ea7… 
Mar 10 2014
3d6ac732ad59sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11616 f3b2605a-c512-4ea7… 
Mar 10 2014
a1ef01fc1ae2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7… 
Jan 14 2014
dda38788f74dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10300 f3b2605a-c512-4ea7… 
Jul 23 2013
aa33af4032e2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10160 f3b2605a-c512-4ea7… 
Jun 28 2013
a5c6bfb1c587sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9566 f3b2605a-c512-4ea7… 
Mar 5 2013
b95500d33047athomps
Changed pre_exchange flag 
Jan 15 2013
a6eb6e4f8486sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9261 f3b2605a-c512-4ea7… 
Jan 11 2013
be1e06897bd6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8551 f3b2605a-c512-4ea7… 
Aug 7 2012
b3612647153csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8536 f3b2605a-c512-4ea7… 
Aug 7 2012
912cfaca75dcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8497 f3b2605a-c512-4ea7… 
Jul 25 2012
194d503cd3a8athomps
Updated error message in fix nvt/npt/nph 
Jul 4 2012
66c5617afbe6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8395 f3b2605a-c512-4ea7… 
Jun 26 2012
ef9e70054573sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8226 f3b2605a-c512-4ea7… 
Jun 7 2012
aa8aeb029472sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8164 f3b2605a-c512-4ea7… 
May 23 2012
a729b8d46f20sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8075 f3b2605a-c512-4ea7… 
May 17 2012
967a143e7e0bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8074 f3b2605a-c512-4ea7… 
May 17 2012
2e1b7a0f0e5esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8037 f3b2605a-c512-4ea7… 
May 3 2012
8e84840556easjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8009 f3b2605a-c512-4ea7… 
Apr 10 2012
fb1c3d6019b2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8008 f3b2605a-c512-4ea7… 
Apr 10 2012
9ce85e0c9a16athomps
Added option to set fixed point for volume dilation 
Apr 10 2012
1217612ab63asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7761 f3b2605a-c512-4ea7… 
Feb 13 2012
64ab68a56198sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7688 f3b2605a-c512-4ea7… 
Feb 3 2012
7fb5f449e413sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7686 f3b2605a-c512-4ea7… 
Feb 3 2012
f884a7ec8574sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7647 f3b2605a-c512-4ea7… 
Feb 1 2012
5a644b0e5de4athomps
Added protection for zero atoms case 
Dec 19 2011
19e8c92a906esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7003 f3b2605a-c512-4ea7… 
Sep 23 2011
dfa59d7cb02dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6945 f3b2605a-c512-4ea7… 
Sep 14 2011
a34506c42008athomps
Added flag to make only fix_nphug use constant eta_mass 
Sep 13 2011
d9a1ca64ffb4athomps
Added flag to make only fix_nphug use constant eta_mass 
Sep 13 2011
eea9b8bfe011athomps
Added another tweak to fix_nh.cpp 
Sep 12 2011
26685383791fathomps
Added changes to FixNH restart 
Sep 7 2011
3f21a1aad6f6athomps
Added NPzzHug Hugoniostat 
Aug 21 2011
aedbb28b6c34sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6486 f3b2605a-c512-4ea7… 
Jun 30 2011
f62b317d376bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@6452 f3b2605a-c512-4ea7… 
Jun 20 2011
73e5255c7d90athomps
Deleted unused variables 
Jun 16 2011
dfb085b3215fathomps
Added triclinic cell keywords and tilt factor scaling options 
Jun 16 2011
428bdd0b09bfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5992 f3b2605a-c512-4ea7… 
Apr 21 2011
1f2a7add7806sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5836 f3b2605a-c512-4ea7… 
Mar 26 2011
5dbc9fa8553fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5299 f3b2605a-c512-4ea7… 
Nov 24 2010
8f02ff3b29a0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4690 f3b2605a-c512-4ea7… 
Sep 6 2010
586440171aa0athomps
Changed default tchain for FixNVTSllod 
Aug 23 2010
a4930bf2ed57sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4402 f3b2605a-c512-4ea7… 
Jul 20 2010
5fadc65fc321athomps
Modified remap() function to include full tensor product for barostatting… 
Jun 25 2010
482aaa1f750asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4338 f3b2605a-c512-4ea7… 
Jun 25 2010
fa6988038cddsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4258 f3b2605a-c512-4ea7… 
Jun 15 2010
5f8335283a70sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@4071 f3b2605a-c512-4ea7… 
Apr 30 2010
6bd79b1c2e98athomps
updated omega treatment 
Apr 12 2010
f83a672f9139sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3963 f3b2605a-c512-4ea7… 
Apr 7 2010
20cfa91d1351athomps
Final changes to fix_box_relax and fix_nh 
Apr 7 2010
e152796332f1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3955 f3b2605a-c512-4ea7… 
Apr 2 2010
75c51a178d4bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3951 f3b2605a-c512-4ea7… 
Apr 2 2010
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