Fixes the BasisSet class's ctor (and warnings) #147
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src/xc_integrator/local_work_driver/host/obara_saika/src/config_obara_saika.hpp
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wavefunction91
requested changes
May 21, 2025
src/xc_integrator/local_work_driver/host/reference_local_host_work_driver.cxx
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src/xc_integrator/local_work_driver/host/reference_local_host_work_driver.cxx
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The fixes to the
BasisSetclass are analogous to the ones needed for theMoleculeclass (i.e., ensure the copy/move ctors do not try to use the templated ctor). I also went through and removed the warnings that my compiler was raising. GauXC should now be "warning free" (completely warning free will be impossible with Obara-Saika preprocessor message)