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Becke rules and PySCF

Status: Open.

#94 In wavefunction91/IntegratorXX;

· susilehtola opened on Nov 26, 2024

Quadrature with conformal maps

Status: Open.

#93 In wavefunction91/IntegratorXX;

· susilehtola opened on May 31, 2024

Minimal basis non-integer Slater-type orbital wave functions

Status: Open.

#88 In wavefunction91/IntegratorXX;

· susilehtola opened on Oct 12, 2023

Atomic densities from Slater's rules

Status: Open.

#87 In wavefunction91/IntegratorXX;

· susilehtola opened on Oct 12, 2023

Hirshfeld partitioning

Status: Open.

#86 In wavefunction91/IntegratorXX;

· susilehtola opened on Oct 3, 2023

Savin partitioning

Status: Open.

#79 In wavefunction91/IntegratorXX;

· susilehtola opened on Sep 13, 2023

Gauss-Maxwell quadrature

Status: Open.

#76 In wavefunction91/IntegratorXX;

· susilehtola opened on Aug 17, 2023

NWChem erf partitioning

Status: Open.

#74 In wavefunction91/IntegratorXX;

· susilehtola opened on Aug 11, 2023

Add Fortran/C API

Status: Open.

#72 In wavefunction91/IntegratorXX;

· wavefunction91 opened on Aug 11, 2023

Franchini et al atomic partitioning

Status: Open.

#69 In wavefunction91/IntegratorXX;

· susilehtola opened on Aug 9, 2023

Add Atomic Partitioning Weight Modifications

Status: Open.

#68 In wavefunction91/IntegratorXX;

· wavefunction91 opened on Aug 9, 2023

Delley partitioning

Status: Open.

#60 In wavefunction91/IntegratorXX;

· susilehtola opened on Aug 2, 2023