From: Egon W. <eg...@us...> - 2002-09-27 13:35:00
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Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/math/qm In directory usw-pr-cvs1:/tmp/cvs-serv5780/src/org/openscience/cdk/math/qm Modified Files: FourierGridBasis.java Log Message: Moved CanonicalLabeler to package graph.invariant. Added PhysicalConstants class. Index: FourierGridBasis.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/math/qm/FourierGridBasis.java,v retrieving revision 1.3 retrieving revision 1.4 diff -C2 -r1.3 -r1.4 *** FourierGridBasis.java 19 Sep 2002 15:29:44 -0000 1.3 --- FourierGridBasis.java 27 Sep 2002 13:34:54 -0000 1.4 *************** *** 1,9 **** ! /* FourierGridBasis.java ! * ! * Autor: Stephan Michels ! * EMail: st...@ve... ! * Datum: 2.7.2001 ! * ! * Copyright (C) 1997-2002 The Chemistry Development Kit (CDK) project * * Contact: ste...@ic..., gez...@ma..., eg...@sc... --- 1,8 ---- ! /* $RCSfile$ ! * $Author$ ! * $Date$ ! * $Revision$ ! * ! * Copyright (C) 2001-2002 The Chemistry Development Kit (CDK) project * * Contact: ste...@ic..., gez...@ma..., eg...@sc... *************** *** 38,41 **** --- 37,43 ---- * References: * <a href="http://cdk.sf.net/biblio.html#MAR89">MAR89</a> + * + * @author Stephan Michels <st...@ve...> + * @created 2 July 2001 */ public class FourierGridBasis implements Basis *************** *** 54,58 **** //private final static double m = 1.6726485E-27; // [kg] Masse eines Protons //private final static double m = 9.109534E-31; // [kg] Masse eines Elektrons ! private final static double m = (1.6726485E-27*1.6726485E-27)/(1.6726485E-27+1.6726485E-27); // [kg]red.Masse private final static double hdash = 6.582E-16; // [eV*s] --- 56,61 ---- //private final static double m = 1.6726485E-27; // [kg] Masse eines Protons //private final static double m = 9.109534E-31; // [kg] Masse eines Elektrons ! private final static double m = (PhysicalConstants.MASS_PROTON*PhysicalConstants.MASS_PROTON)/ ! (2.0*PhysicalConstants.MASS_PROTON); // [kg]red.Masse private final static double hdash = 6.582E-16; // [eV*s] |