# ERI_GPW

Parameters for the GPW approach to electron repulsion integrals. [Edit on GitHub]

## Keywords

- CUTOFF

- EPS_FILTER

- EPS_GRID

- GROUP_SIZE

- PRINT_LEVEL

- REL_CUTOFF

- STORE_WFN

## Keyword descriptions

CUTOFF: real = 3.00000000E+002

  Usage: CUTOFF 300

  The cutoff of the finest grid level in the GPW integration. [Edit on GitHub]

EPS_FILTER: real = 1.00000000E-009

  Usage: EPS_FILTER 1.0E-9

  Determines a threshold for the sparse matrix multiplications if METHOD GPW_HALF_TRANSFORM is used [Edit on GitHub]

EPS_GRID: real = 1.00000000E-008

  Usage: EPS_GRID 1.0E-9

  Determines a threshold for the GPW based integration [Edit on GitHub]

GROUP_SIZE: integer = -1

  Usage: GROUP_SIZE 2

  Sets the size of a subgroup for ERI calculation, each of which with a full set of work grids, arrays or orbitals depending on the method of grids (work grids, arrays, orbitals). Small numbers reduce communication but increase the memory demands. A negative number indicates all processes (default). [Edit on GitHub]

PRINT_LEVEL: enum = SILENT

  Aliases: IOLEVEL

  Usage: PRINT_LEVEL HIGH

  Valid values:

  - `SILENT` Almost no output

  - `LOW` Little output

  - `MEDIUM` Quite some output

  - `HIGH` Lots of output

  - `DEBUG` Everything is written out, useful for debugging purposes only

  How much output is written by the individual groups. [Edit on GitHub]

REL_CUTOFF: real = 5.00000000E+001

  Aliases: RELATIVE_CUTOFF

  Usage: REL_CUTOFF 50

  Determines the grid at which a Gaussian is mapped. [Edit on GitHub]

STORE_WFN: logical = T

  Aliases: STORE_WAVEFUNCTION

  Lone keyword: `T`

  Usage: STORE_WFN T

  Store wavefunction in real space representation for integration. [Edit on GitHub]