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GAMESS-UK

Known as: GAMESS 
General Atomic and Molecular Electronic Structure System (GAMESS-UK) is a computer software program for computational chemistry. The original code… 
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AIXAustin Model 1CP2KComputational chemistry

Papers overview

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2007
2007
New Fortran Features: The Portable Use of Shared Memory Segments
The latest version of the Fortran standard, Fortran 2003, introduces many new features. While full compilers are not yet… 
1999
1999
Algorithms, developments and applications in molecular modelling: the GAMESS-UK Ab Initio code
Focusing on molecular electronic structure, an outline is presented of the range of methods commonly used in computational… 
1993
1993
Ab initio calculations on the ground and excited states of molecules
In this work the results of highly correlated ab initio calculations on the lowlying states of propyne, furan, and the copper… 
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