Public Types | |
typedef std::string | Name |
Define name. | |
Public Member Functions | |
Bridge (const Name &name, const Interactions::TwoBody::Geometry &two_body1, const Interactions::TwoBody::Geometry &two_body2) | |
Constructor. | |
Name | name () const |
Accessor to name. | |
double | InteractionEnergy (const Surface::Site *const site_ptr1, const Surface::Site *const site_ptr2) const |
Compute interaction energy at this bridge site, defined by the common neighbors of the two sites provided as arguments. | |
Public Attributes | |
Interactions::TwoBody::EnergyContainer | interaction_energy_container |
Container of interaction energy. |
Surface::Bridge::Bridge | ( | const Name & | name, | |
const Interactions::TwoBody::Geometry & | two_body1, | |||
const Interactions::TwoBody::Geometry & | two_body2 | |||
) | [inline] |
[in] | name | the brige site, e.g., "1st nearest bridge" |
[in] | two_body1 | |
[in] | two_body2 |
double Surface::Bridge::InteractionEnergy | ( | const Surface::Site *const | site_ptr1, | |
const Surface::Site *const | site_ptr2 | |||
) | const |
[in] | site_ptr1 | |
[in] | site_ptr2 |
|
Project's page |
Generated on Mon Nov 17 00:23:06 2008 for dmcut2 by ![]() |