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Version 2.0

The first major update of the code was finished in summer 1993. New features of the code included a keyword driven input, an initial guess from atomic pseudo-wavefunctions, a module for geometry optimization, several new types of molecular dynamics, Nosé thermostats and a diagonalisation routine to get Kohn-Sham energies. This code had 17'000 lines.




2006-03-29 cpmd@cpmd.org