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incompatible methods #35

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fsmoncadaa opened this issue Oct 5, 2023 · 0 comments · Fixed by #102
Closed

incompatible methods #35

fsmoncadaa opened this issue Oct 5, 2023 · 0 comments · Fixed by #102
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enhancement New feature or request

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Add warning or error messages when incompatible methods are selected. For example

RHF with third order propagator
RHF with full CI
@fsmoncadaa fsmoncadaa added the enhancement New feature or request label Oct 5, 2023
fsmoncadaa added a commit that referenced this issue Nov 24, 2024
@fsmoncadaa
Improved the plots and cubes from the output program, adding options …
d46fc7d 
…to define more easily the plot coordinates. See the tests files for examples (axis,plane,limit,pointsPerDim,scanStep,offset)

Fixed "easy" issues related to the outputs #65, #46, #29. Also added a warning to fix #35 and a test of the reordering of the G functions for molden
@fsmoncadaa fsmoncadaa mentioned this issue Nov 24, 2024
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Improved the plots and cubes from the output program, adding options … efposadac/openLOWDIN
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