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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7440 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-01-06 17:53:59 +00:00
parent 4c698a05e5
commit 02532720cd
4 changed files with 30 additions and 30 deletions
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27
src/KSPACE/pppm.cpp
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@ -1068,31 +1068,6 @@ double PPPM::diffpr(double h_x, double h_y, double h_z, double q2,
return value;
}
/* ----------------------------------------------------------------------
denominator for Hockney-Eastwood Green's function
of x,y,z = sin(kx*deltax/2), etc
inf n-1
S(n,k) = Sum W(k+pi*j)**2 = Sum b(l)*(z*z)**l
j=-inf l=0
= -(z*z)**n /(2n-1)! * (d/dx)**(2n-1) cot(x) at z = sin(x)
gf_b = denominator expansion coeffs
------------------------------------------------------------------------- */
double PPPM::gf_denom(double x, double y, double z)
{
double sx,sy,sz;
sz = sy = sx = 0.0;
for (int l = order-1; l >= 0; l--) {
sx = gf_b[l] + sx*x;
sy = gf_b[l] + sy*y;
sz = gf_b[l] + sz*z;
}
double s = sx*sy*sz;
return s*s;
}
/* ----------------------------------------------------------------------
pre-compute Green's function denominator expansion coeffs, Gamma(2n)
------------------------------------------------------------------------- */
@ -1524,7 +1499,7 @@ void PPPM::particle_map()
void PPPM::make_rho()
{
int i,l,m,n,nx,ny,nz,mx,my,mz;
int l,m,n,nx,ny,nz,mx,my,mz;
FFT_SCALAR dx,dy,dz,x0,y0,z0;
// clear 3d density array