ActualCREST3.0.3alkylizeC7H16shortcutvssamplingfull. Shortcutconstructsalltrans180deg4backbonetorsionsandskipssampling;rawenergy0placeholderunqualifiedoriginal1e-5gateFALSEnotwaived. IndependentGFNFFSPprovidedseparatelyandreaderwritegeometrywithSPenergyexplicitnotoptimizedlabel. Fullactualsampling1recordnativeSPerror2.16e-8Eh.15selectedchecksgeometry/graph/branch/SPrecords,noglobalmin/fullsamplingclaims. No sharedchanges;readplotreferenceonly.
