Chemistry codes on the AREN Cray

Program type notes

CADPAC ab initio efficient HF & MP2

DeFT DFT

DGAUSS DFT

GAMESS ab initio powerful, moderate difficulty

Gaussian 94 ab initio, DFT, many functions

semiemp.

UniChem GUI interface to Gaussian, CADPAC, MNDO, DGAUSS

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