diff --git a/potentials/ffield.ci-reax.CH b/potentials/ffield.ci-reax.CH index 71672c2c621a538134143b243c28329a59e7f268..ebbea2065bf50231a7badfe98881d17f25d40ab9 100644 --- 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)