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root/OpenMD/trunk/src/restraints/Restraints.cpp
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Comparing trunk/src/restraints/Restraints.cpp (file contents):
Revision 417 by chrisfen, Thu Mar 10 15:10:24 2005 UTC vs.
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC

# Line 1 | Line 1
1 < /*
1 > /*
2   * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3   *
4   * The University of Notre Dame grants you ("Licensee") a
# Line 106 | Line 106 | namespace oopse {
106      }
107      
108      // build a RestReader and read in important information
109 +    
110      restRead_ = new RestReader(info_);
111      restRead_->readIdealCrystal();
112      restRead_->readZangle();
# Line 128 | Line 129 | namespace oopse {
129    
130    void Restraints::Calc_body_thetaVal(RotMat3x3d &matrix, double refUnit[3]){
131      ub0x = matrix(0,0)*refUnit[0] + matrix(0,1)*refUnit[1]
132 <    + matrix(0,2)*refUnit[2];
132 >      + matrix(0,2)*refUnit[2];
133      ub0y = matrix(1,0)*refUnit[0] + matrix(1,1)*refUnit[1]
134        + matrix(1,2)*refUnit[2];
135      ub0z = matrix(2,0)*refUnit[0] + matrix(2,1)*refUnit[1]

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