Argument Definitions (+ indicates altered content) INTEGER IORB REAL*8 E(*), EXCP(*), F0(*), F1(*) REAL*8 F2(*), F4(*), FOCK1(*), +FOCK2(*) REAL*8 POT(*), PSI(*), +WK1(*), WK2(*)
Description * Copyright (C) 1996 Leif Laaksonen, Dage Sundholm * Copyright (C) 1996-2010 Jacek Kobus* * This program is free software; you can redistribute it and/or modify * it under the terms of the GNU General Public License version 2 as * published by the Free Software Foundation. * * ### fock ### Calculates the Fock potential for a given orbital.
Source file: fock.f
I/O Operations: Unit ID Unit No Access Form Operation 6 SEQ FMTD W * SEQ FMTD W Operation codes A=rewind,B=backspace,C=close,E=endfile I=inquire,O=open,R=read,W=write
Intrinsic Functions Called DOUBLE PRECISION DBLE GENERIC*4 MAX
External Functions and Subroutines Called REAL*8 CHECKEV SUBROUTINE ADD, AXPY, CHECKASYMP SUBROUTINE COPY, PMTX, PROD, SCAL
Local Variables (+ indicates altered content) INTEGER +I, +IBEXP, +IBORB, +IBORB1 INTEGER +IBPOT, +IBPOT1, +IDEXP, +IORB1 INTEGER +IPC, +KEX, +NGEXP, +NGORB INTEGER +NGORB1, +NGPOT, +NGPOT1, +NGRID INTEGER +NORB2 REAL*8 +COO, +COO0, +COO1, +COO2 REAL*8 +W
Referenced Common Block Variables (+ indicates altered content) ADDRESS1 INTEGER I1B(60), I2B(60) ADDRESS1 INTEGER I3B(1830) ADDRESS3 INTEGER I1SI(60), I2SI(60) ADDRESS3 INTEGER I3SI(1830) COMPATAB CHARACTER*8 BOND(60), GUT(60) COMPATAB INTEGER ILC(1830) COMPATAB INTEGER IORN(60) CONFIG INTEGER NEL, NORB CONSFP REAL*8 ZERO CONSINT INTEGER IONE DEBUG INTEGER INCRMU, INCRNI DEBUG INTEGER IPRINT(1000) ENERG REAL*8 ENG(60) GRIDI INTEGER MXNMU, MXSIZE GRIDI INTEGER NMU(10), NNI NOENG REAL*8 ENGO(3600) OPCOM REAL*8 GEC(7200) ORBIT INTEGER MM(60) ORBITR REAL*8 OCC(60)
Argument Definitions (+ indicates altered content) INTEGER N1, N2 REAL*8 A(N1,N2)
Source file: fock.f
Parameter Variables Used INTEGER IONE (IONE = 1)
Argument Definitions (+ indicates altered content) INTEGER INCRN1, INCRN2, N1, N1ST INTEGER N2, N2ST REAL*8 A(N1,N2)
Source file: fock.f
I/O Operations: Unit ID Unit No Access Form Operation 6 SEQ FMTD W Operation codes A=rewind,B=backspace,C=close,E=endfile I=inquire,O=open,R=read,W=write
Local Variables (+ indicates altered content) INTEGER +I, +J