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WIP: Introduce flag to control enforcement of Fermi hole curvature

Susi Lehtola requested to merge fhc_flag into devel

Tentative fix to #427

Changes the logic from compile-time to run-time. The flag can be turned on or off at runtime by func->info->flags = func->info->flags | XC_FLAGS_ENFORCE_FHC; and func->info->flags = func->info->flags ^ XC_FLAGS_ENFORCE_FHC;, respectively. A single version of the library can be used with either type of code.

TBD: we will need a new function in Fortran: xc_f03_func_info_set_flags(info, flags) and a corresponding xc_func_info_get_flags(*info, flags)

Edited by Susi Lehtola

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