ADAS Subroutine bbprs3
SUBROUTINE BBPRS3( STRING, IA, LCLSHL ) C----------------------------------------------------------------------- C C ****************** FORTRAN77 SUBROUTINE: BBPRS3 ********************* C C PURPOSE: TO ANALYSE A CONFIGURATION CHARACTER STRING INTO A INTEGER C ARRAY OF OCCUPATION NUMBERS IN A STANDARD ORDER C C CALLING PROGRAM: ADAS211 C C NOTES: THE STANDARD ORDER IS 1S,2S,2P,3S,3P,3D ......, 4F (15 VALUES) C CLOSED SHELLS WITHIN THE ACTIVE N-SHELLS ARE ASSUMED FULLY C OCCUPIED C C C SUBROUTINE: C C INPUT : (C*(*))STRING = STRING TO BE PARSED C (L*4) LCLSHL = SWITCH ON CLOSED SHELL ASSUMPTION C C OUTPUT: (I*4) IA() = SET OF OCCUPATION NUMBERS IN STANDARD C ORDER C C ROUTINES: NONE C C AUTHOR: HP SUMMERS C K1/1/57 C JET EXT. 4941 C C DATE: 29/06/92 C C UPDATE: W.J. DICKSON 7/10/92 C ADDED PARAMETER LCLSHL TO SWITCH OFF CLOSED SHELL C APPROXIMATION C UPDATE: H. P. SUMMERS 1/10/96 C PERMITTED LOWER AND UPPER CASE ORBITAL L-VALUES C IN CONFIGURATION STRINGS. DETECT RETURNED L<0 C C UNIX-IDL PORT: C C AUTHOR: WILLIAM OSBORN (TESSELLA SUPPORT SERVICES PLC) C C DATE: 4TH JULY 1996 C C VERSION: 1.1 DATE: 04-07-96 C MODIFIED: WILLIAM OSBORN C - FIRST VERSION. C C VERSION: 1.2 DATE: 14-10-96 C MODIFIED: WILLIAM OSBORN C - ADDED CHANGES DATED 1/10/96 ABOVE C C VERSION: 1.3 DATE: 17-05-07 C MODIFIED: Allan Whiteford C - Removed non-standard control character from C comments. C C----------------------------------------------------------------------- CHARACTER*(*) STRING INTEGER IA(15) LOGICAL LCLSHL