Changeset 1123
 Timestamp:
 Mar 23, 2011 5:20:58 PM (10 years ago)
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 1 edited
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branches/sandbox/rb.tcl
r1119 r1123 655 655 # Rigid body utility routines 656 656 #============================================================================ 657 <<<<<<< .mine658 657 # RigidBodyGetVarNums: Returns a list of the variable numbers in use 659 658 # for rigid body variable parameters. … … 679 678 # RigidBodyGetVarNums: Returns a list of the variable numbers used already 680 679 # for rigid body variable parameters 681 =======682 # RigidBodyGetVarNums: Returns a list of the variable numbers in use683 # for rigid body variable parameters.684 # RigidBodyAtomNums: returns a list of atom numbers that are mapped to685 # rigid bodies in a selected phase686 # RigidStartAtoms: returns a list of atoms that are allowed for creation of RB687 # ExtractRigidBody: Use the GSAS geometry program to cartesian coordinates &688 # setting info for a RB from fractional coordinates for atoms in a phase689 # RunRecalcRBCoords: updates the coordinates in all phases after changes have690 # been made to rigid parameters.691 # CalcBody: Convert ortho to fractional coordinates using RB parameters692 # FitBody: Optimize the origin and Euler angles to match a rigid body to a693 # set of fractional coordinates694 # zmat2coord: convert a zmatrix to a set of cartesian coordinates695 # RB2cart: convert the representation used for rigid bodies into696 # cartesian coordinates697 # PlotRBtype: plot a rigid body with DRAWxtl698 # PlotRBcoords: plot orthogonal coordinates with DRAWxtl699 # DRAWxtlPlotRBFit: plot a set of fraction coordinates superimposed700 # on a structure read from a phase with DRAWxtl701 #============================================================================702 #============================================================================703 # RigidBodyGetVarNums: Returns a list of the variable numbers used already704 # for rigid body variable parameters705 >>>>>>> .r1117706 680 proc RigidBodyGetVarNums {} { 707 681 set varlist {}
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