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                                   DESCRIPTION                                  
                                                                                
                                     OF THE                                     
                                                                                
                         SUPERMATRIX GENERATION PROGRAM                         
                                     (CNVRT)                                    
                                                                                
 ****************************************************************************** 
                                                                                
                                                                                
 PROCEDURE NAME:  CNVRT                                                         
                                                                                
                                                                                
 DESCRIPTION:  This program reads in symmetry-orbital integrals and writes them 
               out in supermatrix form.                                         
                                                                                
                                                                                
                                                                                
                                                                                
 INPUT FILE:  CNVRTIN                                                           
                                                                                
 PRINT OUTPUT FILE:  CNVRTLS                                                    
                                                                                
 LABELED INTEGRAL INPUT FILE:  AOINTS                                           
                                                                                
 LABELED INTEGRAL OUTPUT FILE:  PKINTS                                          
                                                                                
                                                                                
                                                                                
                                                                                
                                                                                
                                                                                
 DOCUMENTATION:  Russell M. Pitzer                                              
                 Department of Chemistry              Internet:                 
                 The Ohio State University            pitzer.3@osu.edu          
                 100 W. 18th Ave.                                               
                 Columbus, OH 43210                                             
                 USA                                                            
                                                                                
                                                                                
 LAST REVISION:  February, 1996                                                 
                                                                                
                                                                                
 REFERENCES:  Supermatrix definition,                                           
              C. C. J. Roothaan, Rev. Mod. Phys. 23, 179 (1960)                 
              C. C. J. Roothaan, L. M. Sachs, and A. W. Weiss, Rev. Mod. Phys.  
              23, 186 (1960)                                                    
                                                                                
              R. M. Pitzer, OSU-TCG Rep. No. 101                                
                                                                                

      This  program reads in symmetry-orbital integrals, as obtained from the   
 ARGOS generally contracted Gaussian integral program, and writes them out in   
 the supermatrix form needed for input to the SCFPQ SCF program.  One-electron  
 integrals (overlap, kinetic energy, nuclear attraction, core potential) are    
 re-indexed.  Spin-orbit integrals are currently discarded.  Electron-repulsion 
 integrals are used to form P and K/2 supermatrices by means of a hash sort.    
                                                                                
                                                                                
                                      INPUT                                     
                                                                                
      The input consists of one line, which may be left blank if the default    
 values are suitable.  The input is read from file CNVRTIN.                     
                                                                                
 (4I3)     ISTO, IFILE, NFILE, IDEBUG                                           
                                                                                
 where          ISTO = 0    (default value)  Electron repulsion integral labels 
                            are checked for canonical ordering.  May be used    
                            with either integral program.                       
                                                                                
                     = 1    Electron repulsion integral labels are already in   
                            canonical order and do not need to be checked.  Use 
                            only with the ARGOS program.                        
                                                                                
                IFILE =     (default value is 4)  Unit number for the input     
                            integral file AOINTS (from ARGOS or DERIC).         
                                                                                
                NFILE =     (default value is 3)  Unit number for the output    
                            integral file PKINTS (to SCF).                      
                                                                                
                IDEBUG = 0  (default value)  Do not print the input integrals.  
                                                                                
                       = 1  Print the input electron repulsion integrals with   
                            their labels.                                       
                                                                                
                                                                                
                                      NOTES                                     
                                                                                
      SOCONV, the first version of this program, was written by Y. Yamaguchi    
 and B. Brooks in the H. F. Schaefer group at the University of California,     
 Berkeley, in 1979.  SOCONV was revised into CONVERT by F. B. Brown in the      
 I. Shavitt group at Ohio State University.  CONVERT was revised into CNVRT by  
 R. M. Pitzer at Ohio State University.                                         
                                                                                
      The Department of Energy, the National Science Foundation, and Cray       
 Research, Inc., have supported this work.                                      
                                                                                
      Distribution of this program is handled primarily through Argonne         
 National Laboratory as part of the COLUMBUS system of programs.  Contact       
                                shepard@tcg.anl.gov                             
                                                                                
                                                                                
                                SAMPLE INPUT DATA                               
                                                                                
  1  0  0  0