thekannman/z_dvr

Calculates kinetic energy in the DVR basis and, given a potential, the eigenvalues of the Hamiltonian.

z_dvr

This program allows Calculation of kinetic energy in the DVR basis and, given a potential, the eigenvalues of the Hamiltonian according to the work of Colbert and Miller (J. Chem. Phys, 1992, 96, pp 1982–1991)

THIS PROGRAM HAS NOT BEEN THOROUGHLY TESTED!!!

Required libraries:

• The Armadillo library for matrix calculations. http://arma.sourceforge.net/
• The Boost program options library for input option parsing. http://www.boost.org/