Argument Definitions (+ indicates altered content) INTEGER I, J
Description Copyright (C) 1978 Charlotte Froese Fisher Copyright (C) 2012 Jacek Kobus The rotate subroutine rotates orbitals connected through orthogonality
Source file: rotate.f
I/O Operations: Unit ID Unit No Access Form Operation OUC SEQ FMTD W Operation codes A=rewind,B=backspace,C=close,E=endfile I=inquire,O=open,R=read,W=write
Intrinsic Functions Called GENERIC*8 ABS
External Functions and Subroutines Called REAL*8 FK, GK, HL, RK SUBROUTINE LPERT, RPERT
Parameter Variables Used INTEGER MAXNO (MAXNO = 29999) INTEGER MAXORB (MAXORB = 20)
Local Variables (+ indicates altered content) INTEGER +II, +KK, +M, +N1 INTEGER +N2 REAL*8 +C, +CJ, +DG, +FKII REAL*8 +FKIJ, +FKJJ, +GKIJ
Referenced Common Block Variables (+ indicates altered content) COEFF REAL*8 A(MAXORB,MAXORB,5) COEFF REAL*8 B(MAXORB,MAXORB,5) INOUT INTEGER OUC MCOMMBLOCK INTEGER L(MAXORB) PARAM INTEGER NWF PARAM1 REAL*8 D0, D2 PARAM1 REAL*8 D5 ROTORB INTEGER +K ROTORB REAL*8 DI, DII ROTORB REAL*8 DIJ, DJ ROTORB REAL*8 DJI, DJJ, +G ROTORB REAL*8 QI, QJ STATE INTEGER NCLI(MAXORB) STATE INTEGER NCLJ(MAXORB) STATE INTEGER NCRI(300) STATE INTEGER NCRJ(300) STATE INTEGER NL, NR STATE REAL*8 CL(MAXORB) STATE REAL*8 CR(300), WT(40) TEST LOGICAL*1 +EZERO WAVE REAL*8 +E(MAXORB,MAXORB)