Fixed header for the force field file

2018-01-08 14:42:43 +01:00
parent 2690075405
commit b96100c0b7
1 changed files with 1 additions and 1 deletions
--- a/potentials/ffield.ci-reax.CH
+++ b/potentials/ffield.ci-reax.CH
@ -1,4 +1,4 @@
-DATE: 2017-03-20 CONTRIBUTOR: Michal Kanski
+DATE: 2017-11-20 CONTRIBUTOR: Michal Kanski Development of a Charge-Implicit ReaxFF Potential for Hydrocarbon Systems DOI: 10.1021/acs.jpclett.7b03155
 39       ! Number of general parameters                                        
   50.0000 !p(boc1)                                                             
    9.5469 !p(boc2)