Provides all information about a pseudopotential. More...
Collaboration diagram for atom_types::atom_gthpot_type:
Private Attributes | |
| CHARACTER(LEN=2) | symbol |
| CHARACTER(LEN=80) | pname |
| INTEGER, dimension(0:3) | econf |
| REAL(dp) | zion |
| REAL(dp) | rc |
| INTEGER | ncl |
| REAL(dp), dimension(5) | cl |
| INTEGER, dimension(0:3) | nl |
| REAL(dp), dimension(0:3) | rcnl |
| REAL(dp), dimension(4, 4, 0:3) | hnl |
| LOGICAL | nlcc |
| INTEGER | nexp_nlcc |
| REAL(KIND=dp), dimension(10) | alpha_nlcc |
| INTEGER, dimension(10) | nct_nlcc |
| REAL(KIND=dp), dimension(4, 10) | cval_nlcc |
| LOGICAL | lsdpot |
| INTEGER | nexp_lsd |
| REAL(KIND=dp), dimension(10) | alpha_lsd |
| INTEGER, dimension(10) | nct_lsd |
| REAL(KIND=dp), dimension(4, 10) | cval_lsd |
| LOGICAL | lpotextended |
| INTEGER | nexp_lpot |
| REAL(KIND=dp), dimension(10) | alpha_lpot |
| INTEGER, dimension(10) | nct_lpot |
| REAL(KIND=dp), dimension(4, 10) | cval_lpot |
Detailed Description
Provides all information about a pseudopotential.
Definition at line 84 of file atom_types.f90.
Member Data Documentation
REAL(KIND = dp),dimension(10) atom_types::atom_gthpot_type::alpha_lpot [private] |
Definition at line 111 of file atom_types.f90.
REAL(KIND = dp),dimension(10) atom_types::atom_gthpot_type::alpha_lsd [private] |
Definition at line 105 of file atom_types.f90.
REAL(KIND = dp),dimension(10) atom_types::atom_gthpot_type::alpha_nlcc [private] |
Definition at line 99 of file atom_types.f90.
REAL(dp),dimension(5) atom_types::atom_gthpot_type::cl [private] |
Definition at line 91 of file atom_types.f90.
REAL(KIND = dp),dimension(4,10) atom_types::atom_gthpot_type::cval_lpot [private] |
Definition at line 113 of file atom_types.f90.
REAL(KIND = dp),dimension(4,10) atom_types::atom_gthpot_type::cval_lsd [private] |
Definition at line 107 of file atom_types.f90.
REAL(KIND = dp),dimension(4,10) atom_types::atom_gthpot_type::cval_nlcc [private] |
Definition at line 101 of file atom_types.f90.
INTEGER,dimension(0:3) atom_types::atom_gthpot_type::econf [private] |
Definition at line 87 of file atom_types.f90.
REAL(dp),dimension(4,4,0:3) atom_types::atom_gthpot_type::hnl [private] |
Definition at line 94 of file atom_types.f90.
LOGICAL atom_types::atom_gthpot_type::lpotextended [private] |
Definition at line 109 of file atom_types.f90.
LOGICAL atom_types::atom_gthpot_type::lsdpot [private] |
Definition at line 103 of file atom_types.f90.
INTEGER atom_types::atom_gthpot_type::ncl [private] |
Definition at line 90 of file atom_types.f90.
INTEGER,dimension(10) atom_types::atom_gthpot_type::nct_lpot [private] |
Definition at line 112 of file atom_types.f90.
INTEGER,dimension(10) atom_types::atom_gthpot_type::nct_lsd [private] |
Definition at line 106 of file atom_types.f90.
INTEGER,dimension(10) atom_types::atom_gthpot_type::nct_nlcc [private] |
Definition at line 100 of file atom_types.f90.
Definition at line 110 of file atom_types.f90.
Definition at line 104 of file atom_types.f90.
Definition at line 98 of file atom_types.f90.
INTEGER,dimension(0:3) atom_types::atom_gthpot_type::nl [private] |
Definition at line 92 of file atom_types.f90.
LOGICAL atom_types::atom_gthpot_type::nlcc [private] |
Definition at line 97 of file atom_types.f90.
CHARACTER (LEN=80) atom_types::atom_gthpot_type::pname [private] |
Definition at line 86 of file atom_types.f90.
REAL(dp) atom_types::atom_gthpot_type::rc [private] |
Definition at line 89 of file atom_types.f90.
REAL(dp),dimension(0:3) atom_types::atom_gthpot_type::rcnl [private] |
Definition at line 93 of file atom_types.f90.
CHARACTER (LEN=2) atom_types::atom_gthpot_type::symbol [private] |
Definition at line 85 of file atom_types.f90.
REAL(dp) atom_types::atom_gthpot_type::zion [private] |
Definition at line 88 of file atom_types.f90.
The documentation for this struct was generated from the following file:
