Potential Module
Uses
-
- mod_datatypes
Functions
public function CheckExistence(filename)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| character(len=100), | intent(in) | :: | filename |
Return Value integer
public function GetNumberOfLines(filename)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| character(len=100), | intent(in) | :: | filename |
Return Value complex(kind=dp)
Subroutines
public subroutine PotentialMatrixArray(lcut, lcut_input, zatom, meshpoints, nrmax, kinenergy, VLLin, PotMatrixArray)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | lcut | ||||
| integer | :: | lcut_input | ||||
| double precision | :: | zatom | ||||
| double precision | :: | meshpoints(nrmax) | ||||
| integer | :: | nrmax | ||||
| complex(kind=dp) | :: | kinenergy | ||||
| double precision | :: | VLLin(nrmax,(2*lcut+1)**2,2) | ||||
| complex(kind=dp) | :: | PotMatrixArray(:,:,:) |
public subroutine PotentialSuperMatrix(lcut, lcut_input, zatom, meshpoints, nr, kinenergy, chi1array, chi2array, theta_array, phi_array, weight_array, DcoeffIndexListA, DcoeffIndexListB, DcoeffListA, DcoeffListB, VLLin, PotMatrix)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | lcut | ||||
| integer | :: | lcut_input | ||||
| double precision | :: | zatom | ||||
| double precision | :: | meshpoints(:) | ||||
| integer | :: | nr | ||||
| complex(kind=dp) | :: | kinenergy | ||||
| complex(kind=dp), | allocatable | :: | chi1array(:,:) | |||
| complex(kind=dp), | allocatable | :: | chi2array(:,:) | |||
| double precision | :: | theta_array(integrationpoints) | ||||
| double precision | :: | phi_array(integrationpoints) | ||||
| double precision | :: | weight_array(integrationpoints) | ||||
| integer, | allocatable | :: | DcoeffIndexListA(:,:) | |||
| integer, | allocatable | :: | DcoeffIndexListB(:,:) | |||
| complex(kind=dp), | allocatable | :: | DcoeffListA(:) | |||
| complex(kind=dp), | allocatable | :: | DcoeffListB(:) | |||
| double precision | :: | VLLin(:,:,:) | ||||
| complex(kind=dp), | allocatable, dimension(:,:) | :: | PotMatrix |
public subroutine readDcoeff(lcut, DcoeffIndexListA, DcoeffIndexListB, DcoeffListA, DcoeffListB)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | lcut | ||||
| integer, | allocatable | :: | DcoeffIndexListA(:,:) | |||
| integer, | allocatable | :: | DcoeffIndexListB(:,:) | |||
| complex(kind=dp), | allocatable | :: | DcoeffListA(:) | |||
| complex(kind=dp), | allocatable | :: | DcoeffListB(:) |
public subroutine wPotentialExpansionNoB(lcut, lcut_input, zatom, meshpoints, nr, chi1array, chi2array, theta_array, phi_array, weight_array, DcoeffIndexListA, DcoeffIndexListB, DcoeffListA, DcoeffListB, VLLin, wcoeff)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | lcut | ||||
| integer | :: | lcut_input | ||||
| double precision | :: | zatom | ||||
| double precision | :: | meshpoints(:) | ||||
| integer | :: | nr | ||||
| complex(kind=dp), | allocatable | :: | chi1array(:,:) | |||
| complex(kind=dp), | allocatable | :: | chi2array(:,:) | |||
| double precision | :: | theta_array(integrationpoints) | ||||
| double precision | :: | phi_array(integrationpoints) | ||||
| double precision | :: | weight_array(integrationpoints) | ||||
| integer, | allocatable | :: | DcoeffIndexListA(:,:) | |||
| integer, | allocatable | :: | DcoeffIndexListB(:,:) | |||
| complex(kind=dp), | allocatable | :: | DcoeffListA(:) | |||
| complex(kind=dp), | allocatable | :: | DcoeffListB(:) | |||
| double precision | :: | VLLin(:,:,:) | ||||
| complex(kind=dp), | allocatable | :: | wcoeff(:,:,:) |
public subroutine wPotentialExpansion(lcut, lcut_input, zatom, meshpoints, nr, chi1array, chi2array, theta_array, phi_array, weight_array, DcoeffIndexListA, DcoeffIndexListB, DcoeffListA, DcoeffListB, VLLin, wcoeff)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | lcut | ||||
| integer | :: | lcut_input | ||||
| double precision | :: | zatom | ||||
| double precision | :: | meshpoints(:) | ||||
| integer | :: | nr | ||||
| complex(kind=dp), | allocatable | :: | chi1array(:,:) | |||
| complex(kind=dp), | allocatable | :: | chi2array(:,:) | |||
| double precision | :: | theta_array(integrationpoints) | ||||
| double precision | :: | phi_array(integrationpoints) | ||||
| double precision | :: | weight_array(integrationpoints) | ||||
| integer, | allocatable | :: | DcoeffIndexListA(:,:) | |||
| integer, | allocatable | :: | DcoeffIndexListB(:,:) | |||
| complex(kind=dp), | allocatable | :: | DcoeffListA(:) | |||
| complex(kind=dp), | allocatable | :: | DcoeffListB(:) | |||
| double precision | :: | VLLin(:,:,:) | ||||
| complex(kind=dp), | allocatable | :: | wcoeff(:,:,:) |
public subroutine PotentialExpansion(lcut, lcut_input, zatom, meshpoints, nr, chi1array, chi2array, theta_array, phi_array, weight_array, VLLin, vcoeff)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | lcut | ||||
| integer | :: | lcut_input | ||||
| double precision | :: | zatom | ||||
| double precision | :: | meshpoints(:) | ||||
| integer | :: | nr | ||||
| complex(kind=dp), | allocatable | :: | chi1array(:,:) | |||
| complex(kind=dp), | allocatable | :: | chi2array(:,:) | |||
| double precision | :: | theta_array(integrationpoints) | ||||
| double precision | :: | phi_array(integrationpoints) | ||||
| double precision | :: | weight_array(integrationpoints) | ||||
| double precision | :: | VLLin(:,:,:) | ||||
| complex(kind=dp), | allocatable, dimension(:,:,:) | :: | vcoeff |
public subroutine PotentialExpansionNoB(lcut, lcut_input, zatom, meshpoints, nr, chi1array, chi2array, theta_array, phi_array, weight_array, VLLin, vcoeff)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | lcut | ||||
| integer | :: | lcut_input | ||||
| double precision | :: | zatom | ||||
| double precision | :: | meshpoints(:) | ||||
| integer | :: | nr | ||||
| complex(kind=dp), | allocatable | :: | chi1array(:,:) | |||
| complex(kind=dp), | allocatable | :: | chi2array(:,:) | |||
| double precision | :: | theta_array(integrationpoints) | ||||
| double precision | :: | phi_array(integrationpoints) | ||||
| double precision | :: | weight_array(integrationpoints) | ||||
| double precision | :: | VLLin(:,:,:) | ||||
| complex(kind=dp), | allocatable, dimension(:,:,:) | :: | vcoeff |
public subroutine makeSpinSphericalArray(lcut, chi1array, chi2array)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | lcut | ||||
| complex(kind=dp), | allocatable | :: | chi1array(:,:) | |||
| complex(kind=dp), | allocatable | :: | chi2array(:,:) |
public subroutine nuCoefficients(lcut, zatom, meshpoints, nr, chi1array, chi2array, theta_array, phi_array, weight_array, VLLin, nuL, nuR)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | lcut | ||||
| double precision | :: | zatom | ||||
| double precision | :: | meshpoints(:) | ||||
| integer | :: | nr | ||||
| complex(kind=dp), | allocatable | :: | chi1array(:,:) | |||
| complex(kind=dp), | allocatable | :: | chi2array(:,:) | |||
| double precision | :: | theta_array(integrationpoints) | ||||
| double precision | :: | phi_array(integrationpoints) | ||||
| double precision | :: | weight_array(integrationpoints) | ||||
| double precision | :: | VLLin(:,:,:) | ||||
| complex(kind=dp), | allocatable | :: | nuL(:,:,:) | |||
| complex(kind=dp), | allocatable | :: | nuR(:,:,:) |
public subroutine ExpansionCoefficients(Lambda1, Lambda2, lcut, meshpoints, nr, chi1array, chi2array, theta_array, phi_array, weight_array, nuL, nuR, vcoeff)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| integer | :: | Lambda1 | ||||
| integer | :: | Lambda2 | ||||
| integer | :: | lcut | ||||
| double precision | :: | meshpoints(:) | ||||
| integer | :: | nr | ||||
| complex(kind=dp), | allocatable | :: | chi1array(:,:) | |||
| complex(kind=dp), | allocatable | :: | chi2array(:,:) | |||
| double precision | :: | theta_array(integrationpoints) | ||||
| double precision | :: | phi_array(integrationpoints) | ||||
| double precision | :: | weight_array(integrationpoints) | ||||
| complex(kind=dp), | allocatable | :: | nuL(:,:,:) | |||
| complex(kind=dp), | allocatable | :: | nuR(:,:,:) | |||
| complex(kind=dp), | dimension(4) | :: | vcoeff |
public subroutine SubMatrixEigenvalue(potPhi, potBx, potBy, potBz, eigenvalue)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| double precision | :: | potPhi | ||||
| double precision | :: | potBx | ||||
| double precision | :: | potBy | ||||
| double precision | :: | potBz | ||||
| complex(kind=dp), | dimension(4,2) | :: | eigenvalue |
public subroutine SubMatrixEigenvector(potPhi, potBx, potBy, potBz, eigenvector)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| double precision | :: | potPhi | ||||
| double precision | :: | potBx | ||||
| double precision | :: | potBy | ||||
| double precision | :: | potBz | ||||
| complex(kind=dp), | dimension(4,2,2) | :: | eigenvector |
public subroutine getPotPhi(zatom, meshpoints, nr, theta, phi, VLLin, potPhi)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| double precision | :: | zatom | ||||
| double precision | :: | meshpoints(:) | ||||
| integer | :: | nr | ||||
| double precision | :: | theta | ||||
| double precision | :: | phi | ||||
| double precision | :: | VLLin(:,:,:) | ||||
| double precision | :: | potPhi |
public subroutine getPotB(zatom, meshpoints, nr, theta, phi, VLLin, potBx, potBy, potBz)
Arguments
| Type | Intent | Optional | Attributes | Name | ||
|---|---|---|---|---|---|---|
| double precision | :: | zatom | ||||
| double precision | :: | meshpoints(:) | ||||
| integer | :: | nr | ||||
| double precision | :: | theta | ||||
| double precision | :: | phi | ||||
| double precision | :: | VLLin(:,:,:) | ||||
| double precision | :: | potBx | ||||
| double precision | :: | potBy | ||||
| double precision | :: | potBz |