atom.fock.dat
Introduction
The atom.fock.dat file contains the information about the Fock basis (occupation number basis).
Format
The format of the atom.fock.dat file is as follows:
column 1: unified index $i$, integer
column 2: decimal number, integer
column 3: index of the Fock state, integer
column 4: binary representation of the Fock state, integer vector
Code
The corresponding Fortran code block for the writing of the atom.fock.dat file is as follows:
! open file atom.fock.dat to write
open(mytmp, file='atom.fock.dat', form='formatted', status='unknown')
! write the header
write(mytmp,'(75a1)') dash ! dashed line
write(mytmp,'(a)') '# i | decimal | index | binary'
write(mytmp,'(75a1)') dash ! dashed line
! write the data
do i=1,ncfgs
write(mytmp,'(i6)',advance='no') i
write(mytmp,'(i6)',advance='no') dec_basis(i)
write(mytmp,'(i6)',advance='no') ind_basis(dec_basis(i))
write(mytmp,'(4X,14i1)') bin_basis(:,i)
enddo ! over i={1,ncfgs} loop
! close data file
close(mytmp)