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. * * ### initExWeights ### Calculates the weights of exchange contributions to the total energy expression for an open/closed shell configuration
Source file: initExWeights.f
I/O Operations: Unit ID Unit No Access Form Operation 6 SEQ FMTD W IOUT6 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
Local Variables (+ indicates altered content) CHARACTER*8 +ALPHA, +BETA INTEGER +I, +IAL, +IBE, +IDIV INTEGER +II, +IMAG, +IMU, +ISU2 INTEGER +ISUMI, +IX, +IXX, +J INTEGER +JJ, +JX, +JXX, +K INTEGER +KK, +MATCH, +MMI, +MPL
Referenced Common Block Variables (+ indicates altered content) COMPATAB CHARACTER*8 BOND(60), GUT(60) COMPATAB CHARACTER*8 +SPIN(240) COMPATAB INTEGER IORN(60) CONFIG INTEGER NORB CONSFP REAL*8 ONE, ZERO DEBUG INTEGER IDBG(1000) DEBUG INTEGER IPRINT(1000) DIMES INTEGER MAXORB IOCHAN INTEGER IOUT6 NOENG INTEGER +NLM(60,60) OPCOM CHARACTER*8 +SPN(300) OPCOM INTEGER +ILOOP(60) OPCOM INTEGER +IQM(300) OPCOM REAL*8 +DIV(60), +GEC(7200) ORBITI INTEGER LOCK(60), MGX(9,60) SCFR INTEGER LAGRAON(120) SCFR INTEGER +LMTYPE