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| recent_changes [2024/01/29 14:08] – [DFT funktional alias names] hesselmann | recent_changes [2024/02/08 13:18] (current) – 2.x.x becomes 2.3.0 doll | ||
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| The short names [awc]vnz-dk (n=d,t,q,5) now refer to the [aug]-cc-p[wC]V(n+d)Z-DK sets for second-row elements Al-Cl. To avoid using the +d sets (not recommended!) use the full basis set name. | The short names [awc]vnz-dk (n=d,t,q,5) now refer to the [aug]-cc-p[wC]V(n+d)Z-DK sets for second-row elements Al-Cl. To avoid using the +d sets (not recommended!) use the full basis set name. | ||
| + | ===== GUI gmolpro 2.3.0 ===== | ||
| + | Version 2.3.0 is bundled with Molpro 2024.1 . | ||
| + | |||
| + | There is now a switch " | ||
| + | in the builder and viewer window to deal with those Mac's which have retina screens. | ||
| + | It switches from a normal display (retina factor 1) | ||
| + | to a display with doubled number of pixels in both directions (retina factor 2). | ||
| + | When this factor is changed, then it gets auto-saved in a configuration file $HOME/ | ||
| + | If necessary, this configuration file can be edited and retina factors different from 1 or 2 may be used. | ||
| + | |||
| + | LIBGL_ALWAYS_SOFTWARE is set to be true. This avoids a crash on some Linux distributions, | ||
| + | in the Mesa library. | ||
| + | |||
| + | |||
| ===== New features of MOLPRO2023.1 ===== | ===== New features of MOLPRO2023.1 ===== | ||
| Molpro 2023.2 is a bug-fix release with the same features as Molpro 2023.1 | Molpro 2023.2 is a bug-fix release with the same features as Molpro 2023.1 | ||