# CPHF

## General

### CIS_AMPLITUDE_CUTOFF

> Minimum singles amplitude to print in CIS analysis

> - Type: double
> - Default: 0.15

### CPHF_MEM_SAFETY_FACTOR

> Memory safety factor for allocating JK

> - Type: double
> - Default: 0.75

### CPHF_TASKS

> Which tasks to run CPHF For * Valid choices: * -Polarizability *

> - Type: array
> - Default: No Default

### DEBUG

> The amount of debug information printed to the output file

> - Type: integer
> - Default: 0

### DF_BASIS_SCF

> Auxiliary basis for SCF

> - Type: string
> - Possible Values: basis string
> - Default: No Default

### DO_SINGLETS

> Do singlet states? Default true

> - Type: boolean
> - Default: true

### DO_TRIPLETS

> Do triplet states? Default true

> - Type: boolean
> - Default: true

### EXPLICIT_HAMILTONIAN

> Do explicit hamiltonian only?

> - Type: boolean
> - Default: false

### MODULE

> What app to test?

> - Type: string
> - Possible Values: RCIS, RCPHF, RTDHF, RCPKS, RTDA, RTDDFT
> - Default: RCIS

### PRINT

> The amount of information printed to the output file

> - Type: integer
> - Default: 1

### SCF_TYPE

> SCF Type

> - Type: string
> - Possible Values: DIRECT, DF, PK, OUT_OF_CORE, PS, INDEPENDENT, GTFOCK
> - Default: DIRECT

### SOLVER_CONVERGENCE

> Solver convergence threshold (max 2-norm).

> - Type: conv double
> - Default: 1.0e-6

### SOLVER_EXACT_DIAGONAL

> Solver exact diagonal or eigenvalue difference?

> - Type: boolean
> - Default: false

### SOLVER_MAXITER

> Solver maximum iterations

> - Type: integer
> - Default: 100

### SOLVER_MAX_SUBSPACE

> DL Solver maximum number of subspace vectors

> - Type: integer
> - Default: 6

### SOLVER_MIN_SUBSPACE

> DL Solver number of subspace vectors to collapse to

> - Type: integer
> - Default: 2

### SOLVER_NORM

> DL Solver minimum corrector norm to add to subspace

> - Type: double
> - Default: 1.0e-6

### SOLVER_N_GUESS

> DL Solver number of guesses

> - Type: integer
> - Default: 1

### SOLVER_N_ROOT

> DL Solver number of roots

> - Type: integer
> - Default: 1

### SOLVER_PRECONDITION

> Solver precondition type

> - Type: string
> - Possible Values: SUBSPACE, JACOBI, NONE
> - Default: JACOBI

### SOLVER_PRECONDITION_MAXITER

> Solver precondition max steps

> - Type: integer
> - Default: 1

### SOLVER_PRECONDITION_STEPS

> Solver precondition step type

> - Type: string
> - Possible Values: CONSTANT, TRIANGULAR
> - Default: TRIANGULAR

### SOLVER_QUANTITY

> Solver residue or eigenvector delta

> - Type: string
> - Possible Values: EIGENVECTOR, RESIDUAL
> - Default: RESIDUAL

### SOLVER_TYPE

> Solver type (for interchangeable solvers)

> - Type: string
> - Possible Values: DL, RAYLEIGH
> - Default: DL