The project has reached a stable, usable state but is no longer being actively developed.
Simple implementation of the Car-Parrinello method for hydrogen molecule.
For details see Chapter 9 in Computational Physics, written by Jos Thijssen.
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The project has reached a stable, usable state but is no longer being actively developed.
Simple implementation of the Car-Parrinello method for hydrogen molecule.
For details see Chapter 9 in Computational Physics, written by Jos Thijssen.