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Added writing to pycac restart file format

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This commit is contained in:
Alex Selimov 2019-12-15 17:55:31 -05:00
parent c291ec65b4
commit b3a9577cc2
3 changed files with 140 additions and 12 deletions
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7
src/elements.f90
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@ -11,8 +11,8 @@ module elements
integer, allocatable :: size_ele(:), lat_ele(:) !Element siz
real(kind=dp), allocatable :: r_node(:,:,:,:) !Nodal position array
integer :: ele_num=0 !Number of elements
integer :: node_num=0 !Total number of nodes
integer, save :: ele_num !Number of elements
integer, save :: node_num !Total number of nodes
!Data structure used to represent atoms
integer, allocatable :: type_atom(:)!atom type
@ -85,6 +85,9 @@ module elements
max_basisnum = 0
basisnum(:) = 0
ng_node(:) = 0
node_num = 0
ele_num = 0
atom_num = 0
end subroutine lattice_init
subroutine cell_init(lapa,esize,ele_type, orient_mat, cell_mat)