Grid for 1D N : # of grid points, 1...N Rmin, Rmax : the range in real space x(:) : grid points in the computational space (-1:1) r(:) : grid points in the real space (Rmin:Rmax), not [ ] rp(:) : dr/dx = 1 / (dx/dr) weight(:) : weights for integration D1(:,:) : first derivatives matrix D2(:,:) : second derivatives matrix Deriv(:,:) : original 1st derivatives matrix divided by r'(i) we can compute f' directly by f'(i) = sum( Deriv(i,:)*f(:) ) L : a mapping parameter for the reciprocal mapping mapping : mapping type ( 0: arbitrary, 1: linear, 2: algeb., 3: inv.rec. ) grid_type : grid type ( 0: FGH, 1: LG, 2: LGL, 3: ext-LGL )
| Type | Visibility | Attributes | Name | Initial | |||
|---|---|---|---|---|---|---|---|
| integer, | public | :: | n | ||||
| real(kind=long), | public | :: | rmin | ||||
| real(kind=long), | public | :: | rmax | ||||
| real(kind=long), | public | :: | l | ||||
| real(kind=long), | public, | allocatable | :: | x(:) | |||
| real(kind=long), | public, | allocatable | :: | r(:) | |||
| real(kind=long), | public, | allocatable | :: | rp(:) | |||
| real(kind=long), | public, | allocatable | :: | weight(:) | |||
| real(kind=long), | public, | allocatable | :: | wf_coeff(:) | |||
| real(kind=long), | public, | allocatable | :: | deriv(:,:) | |||
| real(kind=long), | public, | allocatable | :: | d1(:,:) | |||
| real(kind=long), | public, | allocatable | :: | d2(:,:) | |||
| integer, | public | :: | mapping | ||||
| integer, | public | :: | grid_type |