source/unres/src-5hdiag-tmp/mygauss.f

   1       double precision function mygauss(x)
   2       double precision x,xx
   3 c Bell-like function with shorter tail than Gussian, C2 class
   4       double precision a /0.12479628030882975000d0/,
   5      &                 b /-0.02020459191080933333d0/,
   6      &                 c /0.00193897131461287500d0/,
   7      &                 a1 /0.10424745713810881250d0/,
   8      &                 b1 /-0.02369260389502472656d0/,
   9      &                 c1 /0.00177694529212685400d0/
  10       if (x.lt.-1.0d0 .and. x.gt.-3.0d0) then
  11         xx=(x+3.0d0)**2
  12         mygauss=xx*xx*(a1+xx*(b1+c1*xx))
  13       else if (x.ge.-1.0d0 .and. x.le.1.0d0) then
  14         xx=x*x
  15         mygauss=1.0d0+xx*(-0.5d0+xx*(a+xx*(b+xx*c)))
  16       else if (x.gt.1.0d0 .and. x.lt.3.0d0) then
  17         xx=(x-3.0d0)**2
  18         mygauss=xx*xx*(a1+xx*(b1+c1*xx))
  19       else
  20         mygauss=0.0d0
  21       endif
  22       return
  23       end
  24 c------------------------------------------------------------
  25       double precision function mygaussder(x)
  26       double precision x,xx
  27 c Bell-like function with shorter tail than Gussian, C2 class
  28 c      double precision a /0.12479628030882975000d0/,
  29 c     &                 b /-0.02020459191080933333d0/,
  30 c     &                 c /0.00193897131461287500d0/,
  31 c     &                 a1 /0.10424745713810881250d0/,
  32 c     &                 b1 /-0.02369260389502472656d0/,
  33 c     &                 c1 /0.00177694529212685400d0/
  34       double precision a /0.49918512123531900000d0/,
  35      &                 b /-0.12122755146485599998d0/,
  36      &                 c /0.01551177051690300000d0/,
  37      &                 a1 /0.41698982855243525000d0/,
  38      &                 b1 /-0.14215562337014835936d0/,
  39      &                 c1 /0.01421556233701483200d0/
  40       if (x.lt.-1.0d0 .and. x.gt.-3.0d0) then
  41         xx=(x+3.0d0)**2
  42 c        mygaussder=(x+3.0d0)*xx*(4.0d0*a1+xx*(6.0d0*b1+8.0d0*c1*xx))
  43         mygaussder=(x+3.0d0)*xx*(a1+xx*(b1+c1*xx))
  44       else if (x.ge.-1.0d0 .and. x.le.1.0d0) then
  45         xx=x*x
  46 c        mygaussder=x*(-1.0d0+xx*(4.0d0*a+xx*(6.0d0*b+xx*8.0d0*c)))
  47         mygaussder=x*(-1.0d0+xx*(a+xx*(b+xx*c)))
  48       else if (x.gt.1.0d0 .and. x.lt.3.0d0) then
  49         xx=(x-3.0d0)**2
  50 c        mygaussder=(x-3.0d0)*xx*(4.0d0*a1+xx*(6.0d0*b1+8.0d0*c1*xx))
  51         mygaussder=(x-3.0d0)*xx*(a1+xx*(b1+c1*xx))
  52       else
  53         mygaussder=0.0d0
  54       endif
  55       return
  56       end