schrodinger.application.xtb.gxtb_utils module

Temporary helpers for externally installed gxtb support.

gxtb_wrap.py in jaguar-src intentionally duplicates logic from this module because gxtb_wrap.py cannot afford Schrodinger imports. Both modules should be removed once gxtb is fully released and can be run through the standard xTB library.

schrodinger.application.xtb.gxtb_utils.is_gxtb_enabled()