Computer Physics Communications Program Library

Programs in Physics & Physical Chemistry

Index

Classification

16	Molecular Physics and Physical Chemistry
*16.1*	*Structure and Properties*
ADTU	FRETsg FRETsg: biomolecular structure model building from multiple FRET experiments. G.F. Schroder, H. Grubmuller Comput. Phys. Commun. 158(2004)150
ADUG	SCELib SCELib2: The New Revision of SCELib, the Parallel Computational Library of Molecular Properties in the Single Center Approach. N. Sanna, G. Morelli Comput. Phys. Commun. 162(2004)51
ADUN	WAVR4 New vibration-rotation code for tetraatomic molecules exhibiting wide-amplitude motion: WAVR4. Igor N. Kozin, Mark M. Law, Jonathan Tennyson, Jeremy M. Hutson Comput. Phys. Commun. 163(2004)117
*16.2*	*Spectra*
ADSW	aCLIMAX4.0.1 ACLIMAX 4.0.1, The new version of the software for analysing and interpreting INS spectra. A.J. Ramirez-Cuesta Comput. Phys. Commun. 157(2004)226
ADUN	WAVR4 New vibration-rotation code for tetraatomic molecules exhibiting wide-amplitude motion: WAVR4. Igor N. Kozin, Mark M. Law, Jonathan Tennyson, Jeremy M. Hutson Comput. Phys. Commun. 163(2004)117
*16.3*	*Molecular Vibrations*
ADSW	aCLIMAX4.0.1 ACLIMAX 4.0.1, The new version of the software for analysing and interpreting INS spectra. A.J. Ramirez-Cuesta Comput. Phys. Commun. 157(2004)226
ADTB	DVR3DRJZ DVR3D: a program suite for the calculation of rotation-vibration spectra of triatomic molecules (DVR3DRJZ). J. Tennyson, M.A. Kostin, P. Barletta, G.J. Harris, O.L. Polyansky, J. Ramanlal, N.F. Zobov. Comput. Phys. Commun. 163(2004)85
ADTC	ROTLEV3 DVR3D: a program suite for the calculation of rotation-vibration spectra of triatomic molecules (ROTLEV3). J. Tennyson, M.A. Kostin, P. Barletta, G.J. Harris, O.L. Polyansky, J. Ramanlal, N.F. Zobov. Comput. Phys. Commun. 163(2004)85
ADTD	ROTLEV3B DVR3D: a program suite for the calculation of rotation-vibration spectra of triatomic molecules (ROTLEV3B). J. Tennyson, M.A. Kostin, P. Barletta, G.J. Harris, O.L. Polyansky, J. Ramanlal, N.F. Zobov. Comput. Phys. Commun. 163(2004)85
ADTE	ROTLEV3Z DVR3D: a program suite for the calculation of rotation-vibration spectra of triatomic molecules (ROTLEV3Z). J. Tennyson, M.A. Kostin, P. Barletta, G.J. Harris, O.L. Polyansky, J. Ramanlal, N.F. Zobov. Comput. Phys. Commun. 163(2004)85
ADTF	DIPOLE3 DVR3D: a program suite for the calculation of rotation-vibration spectra of triatomic molecules (DIPOLE3). J. Tennyson, M.A. Kostin, P. Barletta, G.J. Harris, O.L. Polyansky, J. Ramanlal, N.F. Zobov. Comput. Phys. Commun. 163(2004)85
ADTG	SPECTRA DVR3D: a program suite for the calculation of rotation-vibration spectra of triatomic molecules (SPECTRA). J. Tennyson, M.A. Kostin, P. Barletta, G.J. Harris, O.L. Polyansky, J. Ramanlal, N.F. Zobov. Comput. Phys. Commun. 163(2004)85
ADTH	XPECT3 DVR3D: a program suite for the calculation of rotation-vibration spectra of triatomic molecules (XPECT3). J. Tennyson, M.A. Kostin, P. Barletta, G.J. Harris, O.L. Polyansky, J. Ramanlal, N.F. Zobov. Comput. Phys. Commun. 163(2004)85
ADTI	DVR3D DVR3D: a program suite for the calculation of rotation-vibration spectra of triatomic molecules. J. Tennyson, M.A. Kostin, P. Barletta, G.J. Harris, O.L. Polyansky, J. Ramanlal, N.F. Zobov. Comput. Phys. Commun. 163(2004)85
ADUH	BETHE. Use of group theory for the analysis of vibrational spectra. K. Ryklinskaya, S. Fritzsche Comput. Phys. Commun. 162(2004)124
ADUN	WAVR4 New vibration-rotation code for tetraatomic molecules exhibiting wide-amplitude motion: WAVR4. Igor N. Kozin, Mark M. Law, Jonathan Tennyson, Jeremy M. Hutson Comput. Phys. Commun. 163(2004)117
*16.4*	*Experimental Analysis*
ADTU	FRETsg FRETsg: biomolecular structure model building from multiple FRET experiments. G.F. Schroder, H. Grubmuller Comput. Phys. Commun. 158(2004)150
*16.5*	*Electron Scattering*
ADUG	SCELib SCELib2: The New Revision of SCELib, the Parallel Computational Library of Molecular Properties in the Single Center Approach. N. Sanna, G. Morelli Comput. Phys. Commun. 162(2004)51
*16.13*	*Condensed-phase Simulations*
ADUC	m2rc3 Computer calculation of the Van Vleck second moment for materials with internal rotation of spin groups. Roman Goc Comput. Phys. Commun. 162(2004)102