(git:6a2e663)
basis_set_container_types Module Reference

Functions/Subroutines

subroutine, public remove_basis_set_container (basis)
 ... More...
 
subroutine, public add_basis_set_to_container (container, basis_set, basis_set_type)
 ... More...
 
subroutine, public remove_basis_from_container (container, inum, basis_type)
 ... More...
 
subroutine, public get_basis_from_container (container, basis_set, inumbas, basis_type)
 Retrieve a basis set from the container. More...
 

Detailed Description

History
  • Container to hold basis sets
Author
JGH (09.07.2015)

Function/Subroutine Documentation

◆ remove_basis_set_container()

subroutine, public basis_set_container_types::remove_basis_set_container ( type(basis_set_container_type), dimension(:), intent(inout)  basis)

...

Parameters
basis...

Definition at line 72 of file basis_set_container_types.F.

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◆ add_basis_set_to_container()

subroutine, public basis_set_container_types::add_basis_set_to_container ( type(basis_set_container_type), dimension(:), intent(inout)  container,
type(gto_basis_set_type), pointer  basis_set,
character(len=*)  basis_set_type 
)

...

Parameters
container...
basis_set...
basis_set_type...

Definition at line 148 of file basis_set_container_types.F.

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◆ remove_basis_from_container()

subroutine, public basis_set_container_types::remove_basis_from_container ( type(basis_set_container_type), dimension(:), intent(inout)  container,
integer, intent(in), optional  inum,
character(len=*), optional  basis_type 
)

...

Parameters
container...
inum...
basis_type...

Definition at line 177 of file basis_set_container_types.F.

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◆ get_basis_from_container()

subroutine, public basis_set_container_types::get_basis_from_container ( type(basis_set_container_type), dimension(:), intent(inout)  container,
type(gto_basis_set_type), pointer  basis_set,
integer, optional  inumbas,
character(len=*), optional  basis_type 
)

Retrieve a basis set from the container.

Parameters
container...
basis_set...
inumbas...
basis_type...

Definition at line 229 of file basis_set_container_types.F.

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