Computer Physics Communications Program Library

Programs in Physics & Physical Chemistry

Index

Classification

16	Molecular Physics and Physical Chemistry
*16.1*	*Structure and Properties*
ADZP_v1_0	MontePython MontePython: Implementing Quantum Monte Carlo using Python Jon Kristian Nilsen Comput. Phys. Commun. 177(2007)799
ADZQ_v1_0	msct.m The MATHSCOUT Mathematica package to postprocess the output of other scientific programs Michael P. Barnett, Joseph F. Capitani Comput. Phys. Commun. 177(2007)944
*16.2*	*Spectra*
ADCA_v2_0	STROTAB version number: 2 A New Graphical Version of STROTAB: The Analysis and Fitting of Singlet-Triplet Spectra of Asymmetric Top Molecules in the Prolate or Oblate Limits. John Kodet, Richard H. Judge Comput. Phys. Commun. 176(2007)601
*16.3*	*Molecular Vibrations*
ADZA_v1_0	NMscatt NMscatt: a program for calculating inelastic scattering from large biomolecular systems using classical force-field simulations Franci Merzel, Fabien Fontaine-Vive, Mark R. Johnson Comput. Phys. Commun. 177(2007)530
*16.5*	*Electron Scattering*
ADYL_v1_0	FERM3D FERM3D: A finite element R-matrix electron molecule scattering code Stefano Tonzani Comput. Phys. Commun. 176(2007)146
*16.7*	*Elastic Scattering and Energy Transfer*
ADDS_v2_0	ISICS An improved version of ISICS: a program for calculating K-, L- and M-shell cross sections from PWBA and ECPSSR theory using a personal computer Sam J. Cipolla Comput. Phys. Commun. 176(2007)157