CRYSTALS
manuals

Contents

+ Frequently Asked Questions + Crystals Primer + Crystals User Guide
Crystals Manual
1. Introduction To The System 2. Definitions And Conventions 3. The Crystals Database 4. Initial Data Input 5. Reflection Data Input 6. Atomic And Structural Parameters 7. Structure Factors And Least Squares 8. Fourier Routines 9. Analysis Of Results 10. Twinned Crystals
11. Matrix Calculations
12. Obsolete Commands 13. Crystals Manual
+ Cameron Manual + Menu and toolbar + Getting Started + Crystals Worked Examples + Index

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Wednesday 27 April 2011

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Crystals Manual

Chapter 11: Matrix Calculations

11.1: The Basic Matrix Calculator \MATRIX
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11.1: The Basic Matrix Calculator \MATRIX

 \MATRIX 
 A      
 B      
 MM     
 TM     
 MT     
 TT     
 TRANS  
 INV    
 EIG    
 ACC2A  
 ACC2B  
 EXECUTE
 END

 \MATRIX
 A 1 2 3 4 5 6 7 8 9
 B 4 5 6 7 8 9 10 11 12
 MM
 END


CRYSTALS contains a simple calculator for processing 3x3 matrices. Two matrices, A and B, can be input and operated on. The result is output to the screen and left in an accumulator. It can be transfered to A or B for further operations. There is currently no interface to any stored crystallographic information.
 

\MATRIX


 
A

Followed by the nine values for the matrix A by rows
 

B

Followed by the nine values for the matrix B by rows
 

MM

Accumulator = AxB
 

TM

Accumulator = A'xB
 

MT

Accumulator = AxB'
 

TT

Accumulator = A'xB'
 

TRANS

Accumulator = A'
 

INV

Accumulator = A-1
 

EIG

Accumulator = Eigenvectors of A
 

ACC2A

Matrix A = Accumulator
 

ACC2B

Matrix B = Accumulator
 

EXECUTE

Forces execution of the last directive

 

© Copyright Chemical Crystallography Laboratory, Oxford, 2011. Comments or queries to Richard Cooper - richard.cooper@chem.ox.ac.uk Telephone +44 1865 285019. This page last changed on Wednesday 27 April 2011.