This document summarizes the changes between successive versions of the ADF package (including BAND) and of the utility programs used in combination with the main programs.

The Chapters are in reverse time order: the most recent ones come first.

This document focuses on reporting error-repairs and changes in functionality or performance. Technical changes in the code may not be mentioned if they:

• have only very small effects on numerical results and/or the program's performance,
• solve bugs that let the program crash in certain circumstances,
  but which do not affect the outcomes in calculations that terminate normally.

Explanations of new keywords, options, etc. are brief: for more details see the User manuals. The same holds for installation stuff. Generally: read the documentation! This write-up is intended to draw your attention to important changes, not to explain every detail.

ADF 2004.01
Introduction
Platforms
ADFspectra
ADFmovie
Chiral optical properties
Meta-GGA and hybrid xc energy functionals
New XC potentials
SIC potential
Improvements in grid generation
Geometry optimizations: new Hessian update and constraint options
Smoothing of gradients
Interface to NBO package
Expectation value S²
Spin-Orbit Coupling
ESR
Faster analytic second derivatives
Parallellization NMR and CPL programs
Major speed-ups for Fock matrix calculation
Time-dependent DFT code in BAND
TAPE10
DENSF
ADFview
ADFinput
Other
ADF 2003.01
ADF 2002.03
Introduction
Platforms
BAND
QM/MM and AddRemove model
Basis sets
Modified way of working with temporary directories
Bug fix Z-matrix geometry optimization
Bug fixes numerical grid generation
Other bug fixes
ADF 2002.02
Introduction
Platforms
COSMO
Densf
ADF 2002.01
Introduction
Platforms
Input generation
Property Programs
XC functionals
Linear Scaling and Parallelization
QM/MM
Basis sets
Errors Repaired
ADF 2000.02
Introduction
Platforms, Licenses
Utility Programs and Scripts
Errors Repaired
ADF 2000.01
Introduction
Runtime control, Installation
Platforms, Licenses
Documentation, Examples, Database
Functionality
Utility Programs
Performance, Precision, Technical
Representation, Results
Errors Repaired
Known, but Unsolved Errors
Miscellaneous
ADF 1999.02
Introduction
Platforms
Documentation, Examples, Database
Functionality
ADF 1999
Introduction
Runtime control, Installation
Platforms, Licenses
Documentation, Examples, Database
Functionality
Utility Programs
Performance, Precision, Technical
Representation, Results
Errors Repaired
Miscellaneous
ADF 2.3 / BAND 1.0
Runtime control
Installation, Platforms
Documentation, Examples
Functionality, Options
Bugs, Errors
ADF 2.2.1
Installation, Platforms, License
ADF 2.2
Installation, Platforms, License
Documentation, Examples
Functionality, Options
Bugs, Errors
Utility Programs
ADF 2.1
Installation, Platforms, License
Database, Basis sets
Documentation, Examples
Functionality, Options
Performance, Precision, Technical Matters
Presentation, Results
Bugs, Errors
Miscellaneous
Utility Programs
ADF 2.0 / 2.0.1
Installation
Documentation
Functionality and Options
Performance, Precision, and Technical Issues
Solved Bugs
Miscallaneous

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