Matsup: A program to obtain two-electron repulsion integrals from a sparse file of & supermatrix elements

✍ Scribed by Marc Benard

• Book ID: 104109574
• Publisher: Elsevier Science
• Year: 1984
• Tongue: English
• Weight: 77 KB
• Volume: 35
• Category: Article
• ISSN: 0010-4655
• DOI: 10.1016/s0010-4655(84)82928-8

✦ Synopsis

Other peripherals used: card reader, line printer

No. of cards in combined program and test deck: 840

Program limitation: the storage requirement presented here corresponds to a maximum number of 150 contracted Gaussians in the basis set Specific library routines: i) DEFINE IDUM=FLD (IBITI, NSTR, WORD) This function defines a string of NSTR bits starting at bit number IBITI in the dummy variable WORD.