V3FIT
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Interface for the model guassian process density profile values. More...
Public Member Functions | |
real(rprec) function | model_get_gp_ne_ij (this, i, j) |
Get the electron density gp kernel value for the two indicies. More... | |
real(rprec) function | model_get_gp_ne_pi (this, x_cart, i) |
Get the electron density gp kernel value for the position and index. More... | |
real(rprec) function | model_get_gp_ne_pp (this, x_cart, y_cart) |
Get the electron density gp kernel value for the position and position. More... | |
Interface for the model guassian process density profile values.
real (rprec) function model::model_get_gp_ne::model_get_gp_ne_ij | ( | type (model_class), intent(in) | this, |
integer, intent(in) | i, | ||
integer, intent(in) | j | ||
) |
Get the electron density gp kernel value for the two indicies.
Gets the electron density gp kernel for two points. This also sets the scaling and min values.
[in] | this | A model_class instance. |
[in] | i | ith profile position. |
[in] | j | jth profile position. |
real (rprec) function model::model_get_gp_ne::model_get_gp_ne_pi | ( | type (model_class), intent(in) | this, |
real (rprec), dimension(3), intent(in) | x_cart, | ||
integer, intent(in) | i | ||
) |
Get the electron density gp kernel value for the position and index.
Gets the electron density gp kernel for point and index. This also sets the scaling and min values.
[in] | this | A model_class instance. |
[in] | x_cart | Cartesian position to get the electron density at. |
[in] | i | ith profile position. |
real (rprec) function model::model_get_gp_ne::model_get_gp_ne_pp | ( | type (model_class), intent(in) | this, |
real (rprec), dimension(3), intent(in) | x_cart, | ||
real (rprec), dimension(3), intent(in) | y_cart | ||
) |
Get the electron density gp kernel value for the position and position.
Gets the electron density gp kernel for point and index. This also sets the scaling and min values.
[in] | this | A model_class instance. |
[in] | x_cart | Cartesian position to get the kernel at. |
[in] | y_cart | Cartesian position to get the kernel at. |