Argument Definitions (+ indicates altered content) REAL*8 CW_COUL(*), CW_EXCH(*) REAL*8 CW_ORB(*), F4(*), WGT2(*), +WK0(*) REAL*8 +WK1(*), +WK2(*), WK3(*), WK4(*) REAL*8 +WK5(*)
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. * * ### propet2 #### Calculates dipole, quadrupole, octopole and hexadecapole moments relative to the geometrical centre and the centre of mass.
Source file: propet2.f
I/O Operations: Unit ID Unit No Access Form Operation * 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 INTEGER NINT GENERIC*8 ABS, SQRT
External Functions and Subroutines Called REAL*8 DOT, PLEGENDG SUBROUTINE PROD, PROD2
Local Variables (+ indicates altered content) INTEGER +I1BEG, +IGP, +IMU, +IN INTEGER +INIOFF, +IORB, +IZZ1, +IZZ2 INTEGER +K, +MU, +NGORB, +NI REAL*8 +ATW1, +ATW2, +CM2ZZ, +COSTH REAL*8 +ELECT(10), +ELECTDA(10), +QKTOT REAL*8 +QKTOT1, +QKZ1, +QKZ2, +QQ REAL*8 +QTOT, +R1, +RR, +SUM1 REAL*8 +SUM2, +SUM3, +TOTAL(10), +TOTALDA(10) REAL*8 +W, +XXPLUSYY, +Z, +ZCM
Referenced Common Block Variables (+ indicates altered content) ADDRESS1 INTEGER I1B(60) ADDRESS3 INTEGER I1SI(60) COMPATAB CHARACTER*8 BOND(60), GUT(60) COMPATAB INTEGER IORN(60) CONFIG INTEGER NORB CONSFP REAL*8 PRECIS CONSINT INTEGER IONE, IZERO DEBUG INTEGER IPRINT(1000) DIMES INTEGER MAXMPOLE GRIDI INTEGER MXNMU, NNI GRIDR REAL*8 VETA(1500) GRIDR REAL*8 VETA1(1500) GRIDR REAL*8 VETASQ(1500) GRIDR REAL*8 VXI(2500) GRIDR REAL*8 VXI1(2500) GRIDR REAL*8 VXISQ(2500) INDEX INTEGER +NNI2 INPUTD2 REAL*8 R, Z1 INPUTD2 REAL*8 Z2 IOCHAN INTEGER IOUT6, IPRINT16 MOMENT REAL*8 CMULTI(1200) ORBITR REAL*8 OCC(60) PERTAB CHARACTER*2 ELEMENT(0:100) PERTAB REAL*8 ATWEIGHT(0:100) PERTAB REAL*8 AU2DEBYE, BOHR2ANG SORI INTEGER MPOLE