Qumax - Download


Qumax:
download


RELEASE
CHANGES
qumax-0.97.tar.gz
Minor bugs correction
qumax-0.96.tar.gz
Qumax speeded up using ATLAS and LAPACK
qumax-0.95.tar.gz
Many bugs correction, Periodic Systems work well
qumax-0.93.tar.gz
Ewald sums work, but require a periodic TRialFunction (not implemented yet); Jastrow Electron-Nuclear class
qumax-0.92.tar.gz
Ewald sums (to be tested); Many Bugs Corrected; pot_energy file
qumax-0.91.tar.gz
Nuclear Jastrow to satisfy Atomic Cusp Conditions; Bugs in OneBody Corrected
qumax-0.9.tar.gz
Differential Space Warp implemented (but is very slow!)
qumax-0.89.tar.gz
fixed bug in the Gradienti of Kinetic Energy
qumax-0.87.tar.gz
fixed Be,B atomic numbers, Gradienti of Kinetic Energy, fixed bug in VMC Acceptance Rate



INPUT FILES
DESCRIPTION
examples.tar.gz
Simple example input files for VMC,SR and SGA optimization for Li2 and H2




 Copyright  2002-2003 Claudio Attaccalite. 
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