Computation Chemistry at CSRSRC


The following software is intended to be available for local use on the CSRSRC machines under the terms of the individual Copyrights.
The reported list of programs is far from being exhaustive.
 

 


Computational Chemistry: Electronic Structure Methods

Gaussian-XX GAMESS-USA MOLPRO CADPAC
RPAC CRYSTAL TOPOND AIMPAC
ProAIM      
 


X-Ray and Crystallography Applications

VALRAY XD SymMol PAMoC
 


Spectroscopy Applications

EPR85 Jolly    
 


Graphic Applications

ORTEP-III Xmgr RasMol Molden
 


Graphic Libraries

PGPLOT BUTTON PGXTAL  
 


Interpreters/Viewers

Ghostscript Ghostview hpgl2ps XPaint
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