ADFinput
Introduction
Starting ADFinput
Panels
Mopac, DFTB, MM, OpenBabel
Calculation Tabs
Menu Commands
File menu
Edit menu
View menu
Model menu
Properties menu
Details menu
Method menu
MultiLevel
Help menu
Pop-up menu
Buttons and Tools
Getting and changing geometry details
Keyboard shortcuts
Pre-optimizer: SimpleMM, MOPAC or DFTB
SimpleMM
DFTB
MOPAC
OpenBabel
Presets and Defaults
Use a Preset
Revert to preset values
Color Code
Make your own presets
Defaults
Calculation Tasks
Frequencies
Geometry Optimization
IRC (Intrinsic Reaction Coordinate)
Linear Transit
Properties Only
Single Point
Transition State Search
Structures
Replacing an existing atom
Left-click in empty space
Metal Complexes
Dummy atoms and Multidentate ligands
Your own structures
Molecule Editor Tricks
Selecting
Delete an atom
Delete a bond
Delete the selection
Make a bond
Make a bond, alternative method
Change the bond type
Move an atom (possibly perpendicular to the screen)
Rotate or translate the selection
Atom Inspector: Atom masses, types, alternative elements, ...
Run Script
Input options remarks
Empty fields
Coordinates
Spin and Occupation
User Input
Protein QMMM calculations with PDB files
Solvation: COSMO, SCRF(MEAD), Solvent Molecules
Output options
Multi Level Calculations
Regions
Fragments
Frozen Density Embedding (FDE)
QM/MM
Quild
