MODULE atomdata TYPE GridInfo INTEGER :: n REAL(8) :: h REAL(8), POINTER :: r(:) END TYPE GridInfo TYPE OrbitInfo INTEGER :: nps, npp, npd ,npf, npg, norbit INTEGER, POINTER :: np(:),l(:) REAL(8), POINTER :: eig(:),occ(:),wfn(:,:) END TYPE OrbitInfo TYPE SCFInfo INTEGER :: iter REAL(8) :: delta,eone,ekin,estatic,ecoul,eexc,etot END TYPE SCFInfo TYPE PotentialInfo INTEGER :: nz CHARACTER(2) :: sym REAL(8) :: q,v0,v0p REAL(8) , POINTER :: den(:),rv(:) END TYPE PotentialInfo TYPE FCinfo REAL(8), POINTER :: coreden(:),valeden(:) REAL(8) :: evale,corekin INTEGER :: norbit,zcore,zvale LOGICAL, POINTER :: iscore(:) END TYPE FCinfo END MODULE atomdata