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recent_changes [2024/05/13 06:57] – [GUI gmolpro 2.4.0] dollrecent_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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 The following very old programs, which have redundant functionality with more recent ones, have been removed: CADPAC gradients, distributed multipole approximations (DMA), and an old spin-orbit integral code.  The following very old programs, which have redundant functionality with more recent ones, have been removed: CADPAC gradients, distributed multipole approximations (DMA), and an old spin-orbit integral code. 
  
 +==== Input syntax ====
 +
 +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 (''Display/Labels'') in the builder window are now white, in the viewer window black.
 +In the viewer window, there is in addition the option ''Options/Graphics/Adaptive Label Colors''
 +
 +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 =====