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Detailed Information URL: http://cst-www.nrl.navy.mil/~singh/acres/info.html Title: Adaptive Coordinate Real-space Electronic Structure code (ACRES) Description: Density-functional theory (DFT) code designed to perform total energy calculations for atoms, molecules, bulk solids and surfaces on parallel computers such as CM-5, IBM SP2 and ORIGIN 2000. These calculations are performed in real space on a grid that is adapted to spatially inhomogeneous cutoff (or resolution) requirements of a given system. Directory: Computers/Programming/Languages/Fortran/Source_Code/Physics | |||
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