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Diffusion lammps (master) Graph

lammps/src/QEQ
master

History Graph

CommitAuthorDetailsCommitted
aa1ce09b1264Axel Kohlmeyer
more cleanup, checks and generalization of QEQ parameter file parsing 
Aug 19 2017
44ccdb86df24Axel Kohlmeyer
add checks when reading QEQ parameter file to avoid segfaults and memory… 
Aug 19 2017
7f9a331c7355Steve Plimpton
bugfix for 2 recenty reported neighbor issues, also a ReaxFF fix species issue 
May 16 2017
4bad52f30c8eAxel Kohlmeyer
fix typos 
Apr 17 2017
c041727e4fedAxel Kohlmeyer
remove dead code and reduce trivial compiler warnings (clang++) 
Mar 27 2017
f6a819580c6bSteve Plimpton
pair TIP4P bug fix for cutoffs >> box size 
Jan 6 2017
db0524278a69Anders Hafreager
Initializing pointers in PERI, QEQ and REPLICA 
Nov 7 2016
7bf1d9b40fe1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15489 f3b2605a-c512-4ea7… 
Aug 24 2016
8c04540e8a48sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15368 f3b2605a-c512-4ea7… 
Jul 25 2016
eb8fdc4ab680sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14831 f3b2605a-c512-4ea7… 
Apr 15 2016
8e36364f5ceasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14805 f3b2605a-c512-4ea7… 
Apr 7 2016
dd2d454fc442sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14519 f3b2605a-c512-4ea7… 
Jan 29 2016
f6f88c2f2804sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14455 f3b2605a-c512-4ea7… 
Jan 15 2016
10c246dddb46sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14400 f3b2605a-c512-4ea7… 
Dec 23 2015
354e20f43157sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7… 
Oct 30 2015
f7bc08d83d39sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13601 f3b2605a-c512-4ea7… 
Jul 15 2015
69841d9e85f0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13283 f3b2605a-c512-4ea7… 
Mar 24 2015
84a5ec39ec21sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13278 f3b2605a-c512-4ea7… 
Mar 24 2015
ee00c0f65411sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13169 f3b2605a-c512-4ea7… 
Mar 4 2015
bb6d9e903b2dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13130 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
dc2d3afff51csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13011 f3b2605a-c512-4ea7… 
Jan 30 2015
4a975dd8cf07sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7… 
Jan 20 2015
1eb5be159143sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12950 f3b2605a-c512-4ea7… 
Jan 19 2015
aeb7fec23aa9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12814 f3b2605a-c512-4ea7… 
Dec 2 2014
f51b6d103b77stamoor
Restoring qeq files 
Nov 19 2014
72a1dc1552f1stamoor
Fixing bug in qeq 
Nov 19 2014
7eca5edcae58sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12743 f3b2605a-c512-4ea7… 
Nov 19 2014
2d840c556ba0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12742 f3b2605a-c512-4ea7… 
Nov 19 2014
59c9f7af480csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12741 f3b2605a-c512-4ea7… 
Nov 19 2014
7518fae9bcffsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12641 f3b2605a-c512-4ea7… 
Oct 21 2014
4ffd3808e0f4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12639 f3b2605a-c512-4ea7… 
Oct 21 2014
166a9c5bc791sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12621 f3b2605a-c512-4ea7… 
Oct 8 2014
251660040393sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12579 f3b2605a-c512-4ea7… 
Oct 1 2014
bda37b7c9873sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12518 f3b2605a-c512-4ea7… 
Sep 18 2014
c9c83405ab90sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12447 f3b2605a-c512-4ea7… 
Sep 9 2014
a0b94e9053fasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12434 f3b2605a-c512-4ea7… 
Sep 8 2014
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