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| recent_changes [2023/07/28 16:44] – [New features of MOLPRO2022.3] werner | recent_changes [2023/07/28 16:45] – [DFT Grids] werner | ||
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| ==== DFT Grids ==== | ==== DFT Grids ==== | ||
| - | 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 is 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 ==== | ||