A new version of the program to compute the fractional parentage coefficients for equivalent d shell electrons

Published: 01-01-1973| Version 1 | DOI: 10.17632/4ct56cxx8r.1
Contributor:
Alfred T. Chivers

Description

Title of program: A NEW D SHELL CFP Catalogue Id: ACQC_v2_0 [ACRN] Nature of problem This is a new version of the program by Allison (CPC 1(1969)15). The program has been changed to conform with ANSI Fortran and to use a Block Data Subprogram for the data. The changes are as follows: (1) The integer constant referring to the channel number in the WRITE statements in the directing program has been replaced by an integer variable which is transmitted to subprogram CFPD in the COMMON block INFORM. (2) Some non-standard Fortran statements have been replaced in the directing program. ... Versions of this program held in the CPC repository in Mendeley Data ACQC_v2_0; A NEW D SHELL CFP; 10.1016/0010-4655(73)90054-4 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

Files