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Bug Fix: WANNIER_CUBES not printing #3584 (M. Coates) (#3585)

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Juerg Hutter 2024-07-29 16:32:07 +02:00 • committed by GitHub
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src/qs_loc_main.F
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@ -540,6 +540,7 @@ CONTAINS
END IF
ncubes = SIZE(list_cubes)
CALL cp_fm_get_info(moloc_coeff(ispin), ncol_global=nmo)
ncubes = MIN(ncubes, nmo)
ALLOCATE (centers(6, ncubes))
DO i = 1, ncubes