# EFP

Performs effective fragment potential computations through calls to Kaliman’s libefp library.

## General

### EFP_DISP

> Do include dispersion energy term in EFP computation?

> - Type: boolean
> - Default: true

### EFP_DISP_DAMPING

> Fragment-fragment dispersion damping type. `TT` is a damping formula by Tang and Toennies. `OVERLAP` is overlap-based dispersion damping.

> - Type: string
> - Possible Values: TT, OVERLAP, OFF
> - Default: OVERLAP

### EFP_ELST

> Do include electrostatics energy term in EFP computation?

> - Type: boolean
> - Default: true

### EFP_ELST_DAMPING

> Fragment-fragment electrostatic damping type. `SCREEN` is a damping formula based on screen group in the EFP potential. `OVERLAP` is damping that computes charge penetration energy.

> - Type: string
> - Possible Values: SCREEN, OVERLAP, OFF
> - Default: SCREEN

### EFP_EXCH

> Do include exchange repulsion energy term in EFP computation?

> - Type: boolean
> - Default: true

### EFP_IND

> Do include polarization energy term in EFP computation? (EFP_POL c. v1.1)

> - Type: boolean
> - Default: true

### EFP_IND_DAMPING

> Fragment-fragment polarization damping type. `TT` is a damping formula like Tang and Toennies. (EFP_POL_DAMPING c. v1.1)

> - Type: string
> - Possible Values: TT, OFF
> - Default: TT

### EFP_QM_ELST

> Do include electrostatics energy term in QM/EFP computation? (QMEFP_ELST c. v1.1)

> - Type: boolean
> - Default: true

### EFP_QM_IND

> Do include polarization energy term in QM/EFP computation? (QMEFP_POL c. v1.1)

> - Type: boolean
> - Default: true

### PRINT

> The amount of information printed to the output file.

> - Type: integer
> - Default: 1

## Expert

### DERTYPE

> Do EFP gradient?

> - Type: string
> - Possible Values: NONE, FIRST
> - Default: NONE

### QMEFP

> Do turn on QM/EFP terms?

> - Type: boolean
> - Default: false