PORTING OF JAGUAR ELECTRONIC STRUCTURE CODE TO SP2

  • Friesner, Richard A. (PI)

Project: Research project

Project Details

Description

Thegoalofthisprojectistocompletetheparallelizationof the PSGVB electronic structure code on the IBM SP2. Considerable progress has been made in parallelizing the Hartree-Fock and LMP2 functionalities of PSGVB. Future work will involve improving efficiency and adding more functionalities such as the GVB, GVB-RCI, GBV-RCI-MP2, and DFT methodologies.
StatusFinished
Effective start/end date10/1/95 → 9/30/99

Funding

  • National Center for Research Resources: US$43,625.00

ASJC Scopus Subject Areas

  • Electrical and Electronic Engineering

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