Basic C API

[awvwgk]

Include C API bindings for the following classes / functions:

• GauXC::Molecule in gauxc/molecule.hpp
• GauXC::Atom in gauxc/atom.hpp
• GauXC::BasisSet in gauxc/basisset.hpp (double only)
• GauXC::Shell in gauxc/shell.hpp
  • set_shell_tolerance method
• GauXC::RuntimeEnvironment and GauXC::DeviceRuntimeEnvironment
  • set_buffer, comm_rank, comm_size
• GauXC::AtomicGridSizeDefault, GauXC::PruningScheme, GauXC::RadialQuad in gauxc/enum.hpp
• GauXC::MolGridFactory
  • create_default_molgrid
• GauXC::MolGrid
• GauXC::ExecutionSpace in gauxc/enum.hpp
• GauXC::LoadBalancerFactory
  • get_shared_instance method
• GauXC::MolecularWeightsFactory
  • get_instance method
• GauXC::MolecularWeightsSettings
• GauXC::functional_type (from ExchCXX)
• GauXC::XCIntegratorFactory
  • get_instance method
  • provide default matrix type implementation for C
• GauXC::XCIntegrator
  • eval_exc, eval_exc_vxc, etc. methods