- n_types -- integer
-
Number of atomic types.
- atomic_num -- integer, allocatable, dimension(:)
-
Atomic number dimensioned as n_types.
- type_of_atomic_num -- integer, allocatable, dimension(:)
-
Atomic number dimensioned as n_types.
- cutoff -- real(dp)
-
Cutoff for computing connection.
- sigma -- real(dp), allocatable, dimension(:,:)
-
IP parameters.
- eps6 -- real(dp), allocatable, dimension(:,:)
-
IP parameters.
- eps12 -- real(dp), allocatable, dimension(:,:)
-
IP parameters.
- cutoff_a -- real(dp), allocatable, dimension(:,:)
-
IP parameters.
- shift -- real(dp), allocatable, dimension(:,:)
-
IP parameters.
- label -- character(len=FIELD_LENGTH)
-
- mpi -- type(mpi_context)
-
