blocks::fragment Type Reference
Inheritance diagram for blocks::fragment:
Collaboration diagram for blocks::fragment:
Public Member Functions | |
| procedure, pass | adjust |
Public Attributes | |
| character(len=80) | name |
| type(point), allocatable | center_of_mass |
| type(frame) | ffframe |
 Public Attributes inherited from architecture::block | |
| integer | number_of_atoms |
| integer | total_charge |
| integer, allocatable | number_of_electrons |
| integer, dimension(:), allocatable | atomic_numbers |
| type(point), dimension(:), allocatable | coord |
| integer, allocatable | orbital_space_dimension |
| type(atomic_basis), dimension(1:), allocatable | basis_of_aos |
Member Function/Subroutine Documentation
◆ adjust()
| procedure, pass blocks::fragment::adjust |
Member Data Documentation
◆ center_of_mass
| type(point), allocatable blocks::fragment::center_of_mass |
◆ ffframe
| type(frame) blocks::fragment::ffframe |
◆ name
| character(len = 80) blocks::fragment::name |
The documentation for this type was generated from the following file:
