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CENSO in version 1.1.2
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@fabothch fabothch released this 29 Oct 11:16
· 21 commits to main since this release
v.1.1.2
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• Updated the input generation for ORCA5.0.1
◇ it is necessary to provide the ORCA version number to the censorc (otherwise the old input generation is choosen!)

ORCA: /tmp1/orca_5_0_1_linux_x86-64_openmpi411
ORCA version: 5.0.1

◇ r2SCAN-3c is supported by ORCA >= 5.0.0
◇ usage of the new DEFGRIDS (please check if the grid settings are appropriate for your study)
• Fix in .anmrrc generation for gas-phase calculations
• Fix in xtb-driver orcapath

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