Argument Definitions (+ indicates altered content) REAL*8 EXCP(*), F2(*), F4(*), POT(*) REAL*8 +PSI(*), WGT2(*), WK0(*)
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. * * ### gauss_ovlap ### Evaluates the overlap matrix of gaussian basis functions.
Source file: gauss_ovlap.f
I/O Operations: Unit ID Unit No Access Form Operation * SEQ FMTD W 30 SEQ UNF ORW 30 C 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*8 ABS, EXP, SQRT
External Functions and Subroutines Called REAL*8 DOT, PLEGENDG SUBROUTINE PROD, PROD2
Parameter Variables Used REAL*8 EXP_MAX (EXP_MAX = 700.D0)
Local Variables (+ indicates altered content) INTEGER +I, +IC1, +IC2, +IGAUSS INTEGER +IGP, +IMU, +IN, +INIOFF INTEGER +IORB, +IPB1, +IPB2, +ISHIFT INTEGER +ISHIFT2, +L1, +L2, +M1 INTEGER +M2, +MP1, +MP2 REAL*8 +COSTH1, +D1, +D1R, +D2 REAL*8 +D2R, +EXPT, +FN1, +FN2 REAL*8 +FNORM1, +FNORM2, +PSI1, +R1 REAL*8 +SHN1, +SHN2, +XMON, +XOVLAP REAL*8 +Z
Referenced Common Block Variables (+ indicates altered content) CONFIG INTEGER NORB CONSFP REAL*8 PRECIS CONSINT INTEGER IONE GAUSS20 INTEGER ICGAU(650) GAUSS20 INTEGER LPRIM(650) GAUSS20 INTEGER MPRIM(650) GAUSS20 INTEGER NPBASIS GAUSS20 REAL*8 FNGAU2(650) GAUSS20 REAL*8 PRIMCOEF(60,650) GAUSS20 REAL*8 PRIMEXP(650) GAUSS20 REAL*8 SHNGAU(650) GAUSS30 REAL*8 +OVL(650,650) GRIDI INTEGER MXNMU, NNI GRIDR REAL*8 VETA(1500) GRIDR REAL*8 VETASQ(1500) GRIDR REAL*8 VXI(2500) GRIDR REAL*8 VXISQ(2500) INPUTD2 REAL*8 R