mctc_io_write Module


Uses


Interfaces

public interface write_structure

  • private subroutine write_structure_to_file(self, file, error, format)

    Arguments

    Type IntentOptional Attributes Name
    class(structure_type), intent(in) :: self

    Instance of the molecular structure data
    character(len=*), intent(in) :: file

    Name of the file to read
    type(error_type), intent(out), allocatable :: error

    Error handling
    integer, intent(in), optional :: format

    File type format hint

  • private subroutine write_structure_to_unit(self, unit, ftype, error)

    Arguments

    Type IntentOptional Attributes Name
    class(structure_type), intent(in) :: self

    Instance of the molecular structure data
    integer, intent(in) :: unit

    File handle
    integer, intent(in) :: ftype

    File type to read
    type(error_type), intent(out), allocatable :: error

    Error handling