plugin_dfadc¶
C-side Documentation¶
- CUTOFF (PLUGIN_DFADC)
Indicates whether three-virtual integral is processed by semi-direct algorithm
- Type: integer
- Default: 2
- DIM_RITZ (PLUGIN_DFADC)
Initial and the maximum dimension of the Ritz space
- Type: array
- Default: No Default
- DO_PR (PLUGIN_DFADC)
Partial renormalization scheme for the ground state wavefunction
- Type: boolean
- Default: false
- DO_RESIDUAL (PLUGIN_DFADC)
Whether convergence of residual norm is necessary or not
- Type: boolean
- Default: true
- MEMORY (PLUGIN_DFADC)
The amount of memory available (in Mb)
- Type: integer
- Default: 1000
- NEWTON_CONV (PLUGIN_DFADC)
The convergence criterion for pole searching step
- Type: integer
- Default: 7
- NORM_TOL (PLUGIN_DFADC)
The cutoff norm of residual vector in SEM step
- Type: integer
- Default: 6
- POLE_MAX (PLUGIN_DFADC)
The maximum numbers of the pole searching iteration
- Type: integer
- Default: 20
- PRINT (PLUGIN_DFADC)
The amount of information printed to the output file
- Type: integer
- Default: 1
- REFERENCE (PLUGIN_DFADC)
The Reference
- Type: string
- Default: No Default
- RI_BASIS_ADC (PLUGIN_DFADC)
The DF basis
- Type: string
- Default: No Default
- SEM_MAX (PLUGIN_DFADC)
Maximu iteration number in simultaneous expansion method
- Type: integer
- Default: 100