ReaxFF User Manual Written by Adri van Duin December 2002 E mail duin wag caltech edu Materials and Process Simulation Center Beckman Institute 139 74 California Institute of Technology Pasadena CA 91125 USA Contents 1 General overview 1 1 Concept 1 2 Features 1 3 Performance 1 4 Current force fields 2 Input files 2 1 General remarks 2 2 Mandatory input files 2 3 Optional input files 2 4 Force field optimization input files 3 Output fil
Scientific Computing amp Modelling ReaxFF Manual ADF Program System Release 2014 Scientific Computing amp Modelling NV Vrije Universiteit Theoretical Chemistry De Boelelaan 1083 1081 HV Amsterdam The Netherlands WWW www scm com E mail support scm com Copyright 1993 2014 SCM Vrije Universiteit Theoretical Chemistry Amsterdam The Netherlands All rights reserved Table of Contents RReax EF Marital css doses isecsexees sus nara a AEEA EA rir rA Eaa