Differences
This shows you the differences between two versions of the page.
| recent_changes [2024/07/12 08:37] – external edit 127.0.0.1 | recent_changes [2024/12/06 19:39] (current) – external edit 127.0.0.1 | ||
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| We recommend always to use the most recent version, since developments are ongoing and problems reported by users are always fixed as quickly as possible. In particular, before reporting bugs, please check if these still occur in the latest version. | We recommend always to use the most recent version, since developments are ongoing and problems reported by users are always fixed as quickly as possible. In particular, before reporting bugs, please check if these still occur in the latest version. | ||
| + | ===== Upcoming: GUI gmolpro 2.x.x ===== | ||
| + | |||
| + | A trajectory can be visualised, i.e. a set of xyz files appended to each other. | ||
| + | ===== New features of MOLPRO2024.3 ===== | ||
| + | |||
| + | Molpro now uses Libxc 7.0.0. | ||
| ===== New features of MOLPRO2024.2 ===== | ===== New features of MOLPRO2024.2 ===== | ||
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| Change in input files using a z-matrix: Previously both Q and X could be used for dummy atoms in a z-matrix. Now, only X should be used. | Change in input files using a z-matrix: Previously both Q and X could be used for dummy atoms in a z-matrix. Now, only X should be used. | ||
| + | ===== GUI gmolpro 2.5.0 ===== | ||
| + | |||
| + | The colors of the labels ('' | ||
| + | In the viewer window, there is in addition the option '' | ||
| + | |||
| + | Improved compatibility with iMolpro (xyz files from iMolpro are now shown in the builder when opening an iMolpro-project | ||
| + | with gmolpro). | ||
| ===== GUI gmolpro 2.4.0 ===== | ===== GUI gmolpro 2.4.0 ===== | ||