A FORTRAN library has been designed and implemented in oreder to allow the storage of quantum chemistry data sets in a special format built with the HDF5 technology.
S. Borini, A. Monari, E. Rossi, A. Tajiti, C. Angeli, G.L. Bendazzoli, et al. (2007). FORTRAN interface for code interoperability in Quantum Chemistry: the Q5Cost library. JOURNAL OF CHEMICAL INFORMATION AND MODELING, 47, 1271-1277 [10.1021/ci7000567].
FORTRAN interface for code interoperability in Quantum Chemistry: the Q5Cost library
MONARI, ANTONIO;BENDAZZOLI, GIAN LUIGI;
2007
Abstract
A FORTRAN library has been designed and implemented in oreder to allow the storage of quantum chemistry data sets in a special format built with the HDF5 technology.File in questo prodotto:
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