{"id":"W4362669381","doi":"10.3390/atoms11040068","title":"GRASP Manual for Users","year":2023,"lang":"en","type":"article","venue":"Atoms","topic":"Atomic and Molecular Physics","field":"Physics and Astronomy","cited_by":62,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"GRASP; Fortran; Premise; Software; Computer science; Function (biology); Wave function; Property (philosophy); Computational science; Programming language; Physics; Quantum mechanics","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0000375605,0.00006230373,0.00006931796,0.00001572836,0.00005854983,0.00001182239,0.00007381024,0.00001372809,0.00003681839],"category_scores_gemma":[9.906815e-7,0.00006011465,0.00008160711,0.00009681431,0.00001713782,0.00003326909,0.00002809613,0.00003362009,0.0003559991],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000004614097,"about_ca_system_score_gemma":0.00002021015,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000197866,"about_ca_topic_score_gemma":3.344085e-7,"domain_scores_codex":[0.9996012,0.000005082602,0.00006138439,0.0001114325,0.0000515512,0.000169311],"domain_scores_gemma":[0.9997935,0.00002139702,0.00002087205,0.0001131515,0.00001480809,0.00003627237],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"theoretical_or_conceptual","study_design_gemma":"not_applicable","study_design_scores_codex":[0.0000163593,0.00005313278,0.02407599,0.00001531373,0.00017401,0.000003054865,0.0005265192,0.00007231293,0.002016585,0.7847332,0.1068344,0.0814791],"study_design_scores_gemma":[0.002369464,0.00008943982,0.01124922,0.00002344206,0.000104981,6.265789e-7,0.002149981,0.008077157,0.03979225,0.3734271,0.5619406,0.00077583],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9316238,0.000005979369,0.05903928,0.0001704336,0.0002042024,0.0002048217,0.00004342137,0.0001012863,0.008606751],"genre_scores_gemma":[0.9967778,4.240488e-7,0.0001954931,0.0000790958,0.0002258091,0.00004411194,0.0001131802,0.0000167198,0.002547395],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4551061,"threshold_uncertainty_score":0.4575768,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01217593671312155,"score_gpt":0.2784145253969785,"score_spread":0.266238588683857,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}