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Cover Page

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  • An ALGOL Program for the Refinement of Nuclear and Magnetic Structures by the Profile Method by H. M. Rietveld.

T417 : Preparation of profile data program

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  • BEGIN COMMENT, Procedure READSTRING, Procedure PRINTSTRING, Procedure PRINTDATE, Procedure CELL
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  • Procedure DUMP, Procedure FINDKEY (preparation of Neutron powder profile intensities)
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  • Code
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  • Code

T418 : Nuclear and magnetic structure refinement program

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  • Begin comment Nuclear and Magnetic Structure Refinement Program; Procedure REMAINDER, Procedure READSTRING, Procedure PRINTSTRING, Procedure PRINTDATE Procudure TYP4
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  • Procedure TYP5, Procedure TYP6, Procedure CELL, Procedure LEES
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  • Procedure READATOM, Procedure PRINTATOM, Procedure PUNCHATOM
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  • Procedure CONINPUT, Printtext OUTPUT OF OBS + CALC INTENSITIES ON LAST CYCLE, Printtext PRINTED OUTPUT OF LAST CYCLE
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  • Printtext PUNCHED OUTPUT OF STRUCTURE FACTORS, Printtext PUNCHED OUTPUT OF OBS + CALC ON LAST CYCLE, Printtext PUNCHED OUTPUT OF NEW COORDINATES ON LAST CYCLE, Printtext PUNCHED OUTPUT OF COORDINATES COVARIANCES ON LAST CYCLE, Printtext FOR COORDINATES, TEMP FACTORS, SCALING FACTORS,
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  • Procedure DETSOLINV
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  • Procedure PROFILE
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  • Procedure CALCULATE
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  • Code
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  • Code
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  • Code
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  • Procedure SUMMATRIX
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  • Procedure MATRIXINV
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  • Procedure OUTPUT
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  • Code
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  • Procedure CONPRELIM, Procedure CONINV
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  • PRINTEXT XXX