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