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GAMESSGeneral Atomic and Molecular Electronic Structure System
References in periodicals archive ?
The HF calculations were performed using the GAMESS (17) program package; all other calculations employed Gaussian 98 (1) (18).
The Powell cluster has proven capable of delivering exceptional performance on applications that are important to the DoD such as GAMESS and CTH, while at the same time being easily integrated into a production HPC environment," said Thomas Kendall, lead systems engineer at the ARL MSRC.