› MUNgauss

MUNgauss is a computational chemistry package created by Professor Ray Poirier. The code is programmed mainly in Fortran 90 and is modular in design, making it exceptionally developer friendly :) Current functionalities include restricted open-shell Hartree-Fock, unrestricted Hartree-Fock, MP2, and GVB. MUNgauss is non-commercial and we wish to keep it that way. We welcome anyone interested in participating in the development of this code.

Soon to come: a suite of natural orbital functional theory functionals and Local MP2 for periodic systems.

R. A. Poirier and J. W. Hollett, MUNgauss (Fortran 90 version), Memorial University, Chemistry Department, St. John's, NL A1B 3X7. With contributions from J.-P. Becker, S.D. Bungay, F. Colonna, A. El-Sherbiny, T. Gosse, D. Keefe, A. Kelly, C.C. Pye, D. Reid, M. Shaw, M. Staveley, Y. Wang, P. L. Warburton and J. Xidos, 2012.