DFT-FE 1.1.0-pre
Density Functional Theory With Finite-Elements
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Functions | |
void | convertCartesianToSpherical (const std::vector< double > &x, double &r, double &theta, double &phi, const double rTol, const double angleTol) |
double | Clm (const dftfe::Int l, const dftfe::Int m) |
double | Qm (const dftfe::Int m, const double phi) |
double | dQmDPhi (const dftfe::Int m, const double phi) |
double | d2QmDPhi2 (const dftfe::Int m, const double phi) |
double | Plm (const dftfe::Int l, const dftfe::Int m, const double theta) |
double | dPlmDTheta (const dftfe::Int l, const dftfe::Int m, const double theta) |
double | d2PlmDTheta2 (const dftfe::Int l, const dftfe::Int m, const double theta) |
double | YlmReal (const dftfe::Int l, const dftfe::Int m, const double theta, const double phi) |
std::vector< double > | dYlmReal (const dftfe::Int l, const dftfe::Int m, const double theta, const double phi) |
std::vector< double > | d2YlmReal (const dftfe::Int l, const dftfe::Int m, const double theta, const double phi) |
std::vector< std::vector< double > > | getJInv (const double r, const double theta, const double phi) |
double dftfe::utils::sphUtils::Clm | ( | const dftfe::Int | l, |
const dftfe::Int | m ) |
void dftfe::utils::sphUtils::convertCartesianToSpherical | ( | const std::vector< double > & | x, |
double & | r, | ||
double & | theta, | ||
double & | phi, | ||
const double | rTol, | ||
const double | angleTol ) |
double dftfe::utils::sphUtils::d2PlmDTheta2 | ( | const dftfe::Int | l, |
const dftfe::Int | m, | ||
const double | theta ) |
double dftfe::utils::sphUtils::d2QmDPhi2 | ( | const dftfe::Int | m, |
const double | phi ) |
std::vector< double > dftfe::utils::sphUtils::d2YlmReal | ( | const dftfe::Int | l, |
const dftfe::Int | m, | ||
const double | theta, | ||
const double | phi ) |
double dftfe::utils::sphUtils::dPlmDTheta | ( | const dftfe::Int | l, |
const dftfe::Int | m, | ||
const double | theta ) |
double dftfe::utils::sphUtils::dQmDPhi | ( | const dftfe::Int | m, |
const double | phi ) |
std::vector< double > dftfe::utils::sphUtils::dYlmReal | ( | const dftfe::Int | l, |
const dftfe::Int | m, | ||
const double | theta, | ||
const double | phi ) |
std::vector< std::vector< double > > dftfe::utils::sphUtils::getJInv | ( | const double | r, |
const double | theta, | ||
const double | phi ) |
double dftfe::utils::sphUtils::Plm | ( | const dftfe::Int | l, |
const dftfe::Int | m, | ||
const double | theta ) |
double dftfe::utils::sphUtils::Qm | ( | const dftfe::Int | m, |
const double | phi ) |
double dftfe::utils::sphUtils::YlmReal | ( | const dftfe::Int | l, |
const dftfe::Int | m, | ||
const double | theta, | ||
const double | phi ) |