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recent_changes [2022/04/29 10:44] – [New features of MOLPRO2022.2] qianlirecent_changes [2022/08/16 14:15] (current) – external edit 127.0.0.1
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 DFT  options for controlling grid accuracy have been added to gmolpro. DFT  options for controlling grid accuracy have been added to gmolpro.
  
-OPTG options for choosing optimization methods and coordinates have been added do gmolpro.+OPTG options for choosing optimization methods and coordinates have been added to gmolpro. 
 + 
 +==== GUI gmolpro version 2.0.0 ==== 
 + 
 +Version 2.0.0 of the graphical user interface gmolpro is bundled with Molpro2022.2.2 . 
 +When installing gmolpro, then it is installed together with Molpro version 2022.2.2 , and uses this version on the local machine. 
 + 
 +The token may be installed in  
 +'' $HOME/.molpro/token '' . Alternatively (useful for group licences), on Linux, it may be installed in '' /usr/share/gmolpro/molpro/lib/.token '' , and on Mac in '' /Applications/gmolpro.app/Contents/Resources/molpro/lib/.token '' 
 ===== New features of MOLPRO2022.1 ===== ===== New features of MOLPRO2022.1 =====