Initial commit with working atom and lattice type parsing

This commit is contained in:
Alex Selimov 2019-09-25 20:11:10 -04:00
parent 552dd3cada
commit 624886bbe9
9 changed files with 350 additions and 1 deletions

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src/elements.f90 Normal file
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module elements
use precision_comm_module
implicit none
!This is the data structure which is used to represent the CAC elements
type element
integer :: tag = 0 !Element tag (used to keep track of id's
integer :: type = 0 !Lattice type of the element
integer :: size = 0 !Element size
!Nodal position array below only works for wedge or fcc elements
real(kind=wp) :: r_node(3,8)
end type
!Finite element array
type(element), allocatable :: element_array(:)
integer :: ele_num
!Data structure used to represent atoms
type atom
integer :: tag = 0
integer :: type = 0
real(kind =wp) :: r
end type
type(atom), allocatable :: atoms(:)
integer :: atom_num
end module elements