Subroutine param_initialise

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Subroutine `param_initialise`

$\begin{boxedminipage}{\textwidth} \begin{verbatim}call param_initialise(this... ...file,dft_file,cell_file, & [use_cubic_cell])\end{verbatim} \end{boxedminipage}$

this -- type(param_cp2k), intent(out)

at -- type(atoms), intent(inout)

run_type -- integer, intent(in)

cp2k_program -- character(len=*), intent(in)

basis_set_file, potential_file, dft_file -- character(len=*), intent(in)

cell_file -- character(len=*), intent(in)

use_cubic_cell -- logical, optional, intent(in)

create_centred_qmcore subroutine

gabor 2009-06-30