# KG_METHOD

References: Iannuzzi2006, Brelaz1979, Andermatt2016

Specifies the parameters for a Kim-Gordon-like partitioning into molecular subunits [Edit on GitHub]

Subsections

- LRIGPW
- PRINT
- XC

## Keywords

- COLORING_METHOD

- INTEGRATION_GRID

- TNADD_METHOD

## Keyword descriptions

COLORING_METHOD: enum = DSATUR

  Usage: COLORING_METHOD GREEDY

  Valid values:

  - `DSATUR` Maximum degree of saturation, relatively accurate

  - `GREEDY` Greedy, fast coloring, less accurate

  Mentions: ⭐Kim-Gordon

  Which algorithm to use for coloring. [Edit on GitHub]

INTEGRATION_GRID: string = MEDIUM

  Usage: INTEGRATION_GRID MEDIUM

  Grid [small,medium,large,huge]to be used for the TNADD integration. [Edit on GitHub]

TNADD_METHOD: enum = EMBEDDING

  Usage: TNADD_METHOD ATOMIC

  Valid values:

  - `EMBEDDING` Use full embedding potential (see Iannuzzi et al)

  - `RI_EMBEDDING` Use full embedding potential with RI density fitting

  - `ATOMIC` Use sum of atomic model potentials

  - `NONE` Do not use kinetic energy embedding

  Mentions: ⭐Kim-Gordon

  Algorithm to use for the calculation of the nonadditive kinetic energy. [Edit on GitHub]