DFTpy version 2.1.2 has been released.

Version 2.1.2

Added

• Add System class to support subsystem
• Spectra calculation
• Support cpi/psp6 format PP
• Several small improvements

Fixed

• output of qepp format file
• Bug fixes

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Version 2.1.0

Added

• WTE functional
• New ASE calculator and the calculator also support optimizer
• GGA KEDF stress
• Several small improvements

Fixed

• Grid mapping for full grid
• Ewald calculation in parallel
• Wrong q in the MGGA KEDF
• Density generator in real-space
• Bug fixes

Changed

• Change libxc_kedf to libxc in KEDF
• The smooth function in the gradient changed from \(e^{(g^2*\sigma/2)}\) to \(e^{(g^2*\sigma^2/2)}\)

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