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Excitation energies#395

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Gabrielgerez wants to merge 9 commits intoMRChemSoft:masterMRChemSoft/mrchem:masterfrom Gabrielgerez:excitation_energiesGabrielgerez/mrchem:excitation_energiesCopy head branch name to clipboard

+1,524-114

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Commits on Aug 23, 2022

• add cubefiles as possible guesses for response

  Gabrielgerez

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  8adbde4

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• Change header year to 2022

  Gabrielgerez

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  e59a02f

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• Debug of CUBE_guess in rsp, works most of the time

  Gabrielgerez

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  b8043e5

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• debugging cubefile

  Gabrielgerez

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  993aad4

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• CUBEfile no longer fetches values outside range. Replaces all edge values of cube with zeroes

  Gabrielgerez

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  2111295

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• cleanup of debug info

  Gabrielgerez

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  61abf2f

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• remove more debug info

  Gabrielgerez

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  b081936

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• add higher order response solver

  Gabrielgerez

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  0aa5fd7

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• recommit the higher order response solver

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  db0720c

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