Searched refs:E_alpha (Results 1 – 6 of 6) sorted by relevance
/dports/science/ergo/ergo-3.8/source/scf/ |
H A D | diis_unrestricted.cc | 60 normalMatrix & E_alpha, in AddIterationToList() argument 98 E_list[0][IterCount] = new normalMatrix(E_alpha); in AddIterationToList() 123 ergo_real scalarProd_alpha = DoScalarProductOfErrorMatrices(E_alpha, *E_list[0][i]); in AddIterationToList() 135 ergo_real scalarProd_alpha = DoScalarProductOfErrorMatrices(E_alpha, E_alpha); in AddIterationToList()
|
H A D | diis_unrestricted.h | 52 normalMatrix & E_alpha,
|
/dports/math/gap/gap-4.11.0/pkg/quagroup-1.8.2/gap/ |
H A D | isom.gi | 948 # F_alpha is mapped to E_alpha: 961 # E_alpha --> F_alpha 1011 # E_alpha --> E_alpha 1053 # F_alpha is mapped to -K_alpha^-1 E_alpha: 1089 # E_alpha is mapped to -F_alpha K_alpha 1092 # E_alpha is mapped to a sum.. 1149 # E_alpha --> E_p(alpha)
|
/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/xtp-2a31d70/src/libxtp/dftengine/ |
H A D | dftengine.cc | 629 double E_alpha = E_one_alpha + E_two_alpha; in RunAtomicDFT_unrestricted() local 631 double totenergy = E_alpha + E_beta; in RunAtomicDFT_unrestricted() 634 Convergence_alpha.Iterate(dftAOdmat_alpha, H_alpha, MOs_alpha, E_alpha); in RunAtomicDFT_unrestricted()
|
/dports/science/votca/votca-2021.2-18560-gfbe18d971/xtp/src/libxtp/dftengine/ |
H A D | dftengine.cc | 629 double E_alpha = E_one_alpha + E_two_alpha; in RunAtomicDFT_unrestricted() local 631 double totenergy = E_alpha + E_beta; in RunAtomicDFT_unrestricted() 634 Convergence_alpha.Iterate(dftAOdmat_alpha, H_alpha, MOs_alpha, E_alpha); in RunAtomicDFT_unrestricted()
|
/dports/biology/gatk/gatk-4.2.0.0/docs/CNV/archived/ |
H A D | archived-CNV-methods.tex | 584 \label{E_alpha} label 601 \State Update $E [ \alpha ] $ via Equation \ref{E_alpha}
|