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CP2K 2.4 (Revision 12889)
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Type containing all informations abour the rotation of the Dimer. More...
Collaboration diagram for dimer_types::dimer_rotational_type:Private Attributes | |
| INTEGER | rotation_step |
| LOGICAL | interpolate_gradient |
| REAL(KIND=dp) | angle_tol |
| REAL(KIND=dp) | angle1 |
| REAL(KIND=dp) | angle2 |
| REAL(KIND=dp) | dCdp |
| REAL(KIND=dp) | curvature |
| REAL(KIND=dp), dimension(:), pointer | g0 |
| REAL(KIND=dp), dimension(:), pointer | g1 |
| REAL(KIND=dp), dimension(:), pointer | g1p |
Type containing all informations abour the rotation of the Dimer.
Definition at line 45 of file dimer_types.f90.
REAL(KIND=dp) dimer_types::dimer_rotational_type::angle1 [private] |
Definition at line 49 of file dimer_types.f90.
REAL(KIND=dp) dimer_types::dimer_rotational_type::angle2 [private] |
Definition at line 49 of file dimer_types.f90.
REAL(KIND=dp) dimer_types::dimer_rotational_type::angle_tol [private] |
Definition at line 49 of file dimer_types.f90.
REAL(KIND=dp) dimer_types::dimer_rotational_type::curvature [private] |
Definition at line 49 of file dimer_types.f90.
REAL(KIND=dp) dimer_types::dimer_rotational_type::dCdp [private] |
Definition at line 49 of file dimer_types.f90.
REAL(KIND=dp),dimension(:),pointer dimer_types::dimer_rotational_type::g0 [private] |
Definition at line 50 of file dimer_types.f90.
REAL(KIND=dp),dimension(:),pointer dimer_types::dimer_rotational_type::g1 [private] |
Definition at line 50 of file dimer_types.f90.
REAL(KIND=dp),dimension(:),pointer dimer_types::dimer_rotational_type::g1p [private] |
Definition at line 50 of file dimer_types.f90.
LOGICAL dimer_types::dimer_rotational_type::interpolate_gradient [private] |
Definition at line 48 of file dimer_types.f90.
Definition at line 47 of file dimer_types.f90.
1.7.3