Commit Graph

14608 Commits

Author SHA1 Message Date
6e26c63bf5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2863 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-06-04 17:53:33 +00:00
f324cc18ee git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2862 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-06-04 17:05:43 +00:00
0b9d4aa3c5 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2859 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-06-04 16:56:59 +00:00
020c1c868d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2858 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-06-04 16:55:43 +00:00
f2a1999257 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2857 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-06-04 16:55:32 +00:00
41e72e22df git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2856 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-06-04 16:55:20 +00:00
71ea71d111 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2855 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-06-04 16:55:07 +00:00
ef7b2c589c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2854 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-06-04 16:54:18 +00:00
d089e246b9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2853 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-06-04 16:53:17 +00:00
0ddeb592a1 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2852 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-06-04 16:52:20 +00:00
b5f579d0fb git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2850 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-06-03 20:50:48 +00:00
4a4c5b8dd4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2845 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-06-03 20:33:21 +00:00
aef437dc39 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2844 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-06-03 20:33:16 +00:00
482c0912d6 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2842 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-06-03 19:59:51 +00:00
97e7724158 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2841 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-06-03 19:59:19 +00:00
22729d0a34 improved portability of ReaxFF
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2840 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-06-02 18:12:05 +00:00
e09138e044 Improved portability of ReaxFF implementation.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2839 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-06-02 18:09:07 +00:00
b27c1ccccf Improved portability of ReaxFF
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2838 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-06-02 18:00:10 +00:00
2c6c87a168 Improved portability of ReaxFF on IBM platforms.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2837 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-06-02 17:54:19 +00:00
c659a9750a Updated documentation for compiling ReaxFF library.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2836 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-06-02 17:52:25 +00:00
06110955d2 Improved portability for _IBM platform.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2835 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-06-02 17:51:22 +00:00
1293b29453 Added Strachan reference.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2834 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-06-01 20:16:04 +00:00
1735c2fb13 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2832 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-05-21 15:08:44 +00:00
4b85fae4ad Updated reaxFF references.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2831 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-05-20 22:43:42 +00:00
d288757018 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2829 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-05-19 15:19:41 +00:00
c0a48708c9 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2827 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-05-19 15:04:19 +00:00
9b5a353cc4 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2826 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-05-19 15:03:50 +00:00
c840692377 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2825 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-05-19 15:02:32 +00:00
4fb6be1468 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2824 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-05-19 15:01:02 +00:00
b6cd5233bd git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2823 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-05-19 15:00:00 +00:00
bf4a17aa0f git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2822 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-05-19 14:59:04 +00:00
06396c8958 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2821 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-05-19 14:58:16 +00:00
b1ac804d3c git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2820 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-05-19 14:57:46 +00:00
65317f1486 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2819 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-05-19 14:43:06 +00:00
a12fe07b28 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2818 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-05-14 19:24:46 +00:00
f06cc9667e Changed how x0 is shifted under PBC in linesearch
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2817 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-05-14 02:23:26 +00:00
b421696569 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2815 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-05-12 13:34:00 +00:00
acbd3c0081 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2814 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-05-12 13:33:47 +00:00
d2932e8642 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2813 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-05-12 13:24:20 +00:00
ccc857bd4e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2805 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-05-06 13:07:08 +00:00
e006e2c426 Added Erhart/Albe SiC tersoff potential from Felix Ulomek
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2804 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-05-05 17:18:23 +00:00
7b788ebd0e Added a fix to output ReaxFF bond-order information.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2798 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-04-30 21:46:49 +00:00
180f47525d git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2795 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-04-30 20:59:46 +00:00
e08729c96f Created fix_reax_write_bonds
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2794 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-04-30 19:48:26 +00:00
883b5ae3a7 Added fix write/reax/bonds and reordered TATB atoms
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2793 f3b2605a-c512-4ea7-a41b-209d697bcdaa
2009-04-30 17:01:34 +00:00
d11c29e95b git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2791 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-04-30 16:53:21 +00:00
55ecf78cdc git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2790 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-04-30 16:53:04 +00:00
bbd7007b2e git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2789 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-04-29 17:41:26 +00:00
8af12f9e13 git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2785 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-04-29 17:29:52 +00:00
a4d85b50ac git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@2783 f3b2605a-c512-4ea7-a41b-209d697bcdaa 2009-04-29 17:22:30 +00:00