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recent_changes [2023/07/28 16:44] – [New features of MOLPRO2022.3] werner | recent_changes [2023/07/28 16:44] – [MPPX option] werner | ||
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Rotationally invariant DFT grids have been implemented and used by default. This is achieved by rotating the grid of each atom dependent of its local environment. | Rotationally invariant DFT grids have been implemented and used by default. This is achieved by rotating the grid of each atom dependent of its local environment. | ||
+ | ===== New features of MOLPRO2022.3 ===== | ||
+ | |||
==== MPPX option ==== | ==== MPPX option ==== | ||