ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Updated ReaxFF ZnO citation

Browse Source 
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9331 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
athomps
2013-01-25 20:01:07 +00:00
parent c8086bffe6
commit 19a0bc490e
1 changed files with 1 additions and 1 deletions
Download Patch File Download Diff File Expand all files Collapse all files

2
examples/reax/Zn_O_H/ffield.reax.ZnOH
View File

@ -1,4 +1,4 @@
Reactive MD-force field: water/zinc: Raymand, D.; van Duin A.C.T.; Baudin M.; Hermannson K. Surface Science 2008, 602, 1020-1031. Reactive MD-force field: water/zinc: Raymand, D.; van Duin, A. C. T.; Spangberg, D.; Goddard, W. A.; Hermansson, K. Surface Science 2010, 604, 9-10, 741-752.
39 ! Number of general parameters 39 ! Number of general parameters
50.0000 !Overcoordination parameter 50.0000 !Overcoordination parameter
9.5469 !Overcoordination parameter 9.5469 !Overcoordination parameter