Description * Copyright (C) 1992 F.A. Parpia and I.P. Grant * Copyright (C) 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. * * ### etotalGauss ### Evaluate the interaction energy between two nuclei with Gaussian charge distributions Z1*Z2/r lowerGamma(half,eta12*r*r)/sqrt(pi), 1/eta12=1/eta1+1/eta2
Source file: etotalGauss.f
Intrinsic Functions Called GENERIC*8 SQRT
External Functions and Subroutines Called REAL*8 DGAMIT, DGAMMA
Local Variables (+ indicates altered content) REAL*8 +AT3, +ATW, +ETA1, +ETA12 REAL*8 +ETA2, +FMTOAU, +GAMMALOWER REAL*8 +RRMS, +RRMSFM
Referenced Common Block Variables (+ indicates altered content) CONSFP REAL*8 HALF, ONE CONSFP REAL*8 PII, THREE INPUTD1 REAL*8 Z1ATMASS, Z2ATMASS INPUTD2 REAL*8 R, Z1 INPUTD2 REAL*8 Z2 PERTAB REAL*8 AINFCM TOTTMP REAL*8 ETOT, +ETOTFN