ERI_GPW
Parameters for the GPW approach to electron repulsion integrals. [Edit on GitHub]
Keywords
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_GRID: real = 1.00000000E-008
Usage: EPS_GRID 1.0E-9
Determines a threshold for the GPW based integration [Edit on GitHub]
- PRINT_LEVEL: enum = SILENT
Aliases: IOLEVEL
Usage: PRINT_LEVEL HIGH
Valid values:
SILENT
Almost no outputLOW
Little outputMEDIUM
Quite some outputHIGH
Lots of outputDEBUG
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
Strore wavefunction in real space representation for integration. [Edit on GitHub]