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Fixing GAMESS bug with ASSIGNED OCCUPANCIES block. #1279

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amandadumi opened this issue Sep 29, 2023 · 0 comments
Open

Fixing GAMESS bug with ASSIGNED OCCUPANCIES block. #1279

amandadumi opened this issue Sep 29, 2023 · 0 comments
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@amandadumi
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bug GAMESS
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v2.0

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@amandadumi
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First discovered in the file from #1009 , though the source of the unsuccessful parsing is for a different reason than the bug mentioned there. The changes introduced in this commit caused an unsuccessful parsing due to the presence of an 'ASSIGNED OCCUPANCIES' block.

I started a branch to fix this, but it's not done yet.

Reattaching the file from #1009.
Pyridine_CU2_ion_pos1_ROHF_6-31G_1_step_print_guess_overlap.txt
@berquist berquist added this to the v1.8.1 milestone Sep 30, 2023
@berquist berquist modified the milestones: v1.8.1, v2.0 Dec 19, 2023
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bug GAMESS
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@berquist @amandadumi