mirror of
https://github.com/TREX-CoE/Sherman-Morrison.git
synced 2024-11-04 05:03:59 +01:00
67f5379bea
- Split SM2 into SM2 and SM2star so that keeps all updates for later when used in combination with the Woodbury kernels to improve the numerical accuracy to the same level as that of SM2.
20 lines
814 B
C++
20 lines
814 B
C++
// Sherman-Morrison-Woodbury kernel 1
|
|
// WB2, WB3, SM2 mixing scheme
|
|
void SMWB1(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
|
|
double *Updates, unsigned int *Updates_index);
|
|
|
|
// // Sherman-Morrison-Woodbury kernel 2
|
|
// // WB2, WB3, SM3 mixing scheme
|
|
// void SMWB2(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
|
|
// double *Updates, unsigned int *Updates_index);
|
|
|
|
// // Sherman-Morrison-Woodbury kernel 3
|
|
// // WB2, WB3, SM4 mixing scheme
|
|
// void SMWB3(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
|
|
// double *Updates, unsigned int *Updates_index);
|
|
|
|
// Sherman-Morrison-Woodbury kernel 4
|
|
// WB2, SM2 mixing scheme
|
|
void SMWB4(double *Slater_inv, unsigned int Dim, unsigned int N_updates,
|
|
double *Updates, unsigned int *Updates_index);
|