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Data Fields
atprop_types::atprop_type Type Reference

type for the atomic properties More...

Data Fields

logical energy = .FALSE.
 
real(kind=dp), dimension(:), pointer atener => NULL()
 
real(kind=dp), dimension(:), pointer ateb => NULL()
 
real(kind=dp), dimension(:), pointer atexc => NULL()
 
real(kind=dp), dimension(:), pointer ateself => NULL()
 
real(kind=dp), dimension(:), pointer atevdw => NULL()
 
real(kind=dp), dimension(:), pointer ategcp => NULL()
 
real(kind=dp), dimension(:), pointer atecc => NULL()
 
real(kind=dp), dimension(:), pointer ate1c => NULL()
 
real(kind=dp), dimension(:), pointer atecoul => NULL()
 

Detailed Description

type for the atomic properties

Author
fawzi

Definition at line 31 of file atprop_types.F.

Field Documentation

◆ energy

logical atprop_types::atprop_type::energy = .FALSE.

Definition at line 32 of file atprop_types.F.

◆ atener

real(kind=dp), dimension(:), pointer atprop_types::atprop_type::atener => NULL()

Definition at line 33 of file atprop_types.F.

◆ ateb

real(kind=dp), dimension(:), pointer atprop_types::atprop_type::ateb => NULL()

Definition at line 34 of file atprop_types.F.

◆ atexc

real(kind=dp), dimension(:), pointer atprop_types::atprop_type::atexc => NULL()

Definition at line 35 of file atprop_types.F.

◆ ateself

real(kind=dp), dimension(:), pointer atprop_types::atprop_type::ateself => NULL()

Definition at line 36 of file atprop_types.F.

◆ atevdw

real(kind=dp), dimension(:), pointer atprop_types::atprop_type::atevdw => NULL()

Definition at line 37 of file atprop_types.F.

◆ ategcp

real(kind=dp), dimension(:), pointer atprop_types::atprop_type::ategcp => NULL()

Definition at line 38 of file atprop_types.F.

◆ atecc

real(kind=dp), dimension(:), pointer atprop_types::atprop_type::atecc => NULL()

Definition at line 39 of file atprop_types.F.

◆ ate1c

real(kind=dp), dimension(:), pointer atprop_types::atprop_type::ate1c => NULL()

Definition at line 40 of file atprop_types.F.

◆ atecoul

real(kind=dp), dimension(:), pointer atprop_types::atprop_type::atecoul => NULL()

Definition at line 41 of file atprop_types.F.

The documentation for this type was generated from the following file: