paperspec/fixtures/packages/hale2026harmonic-damb/datasets/ds-hale-bond-params/data.csv at a10cc067c32e953f5ba08d806be50d014c718bc1 - paperspec - Scienting Git

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fix: commit the fixture packages and log that .gitignore was hiding

2026-10-15 05:41:23 -04:00

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 key,bond,set,k_r,r_eq
 ct-ct-a,CT–CT,A,310.0,1.526
 ct-ct-b,CT–CT,B,305.2,1.5260
 ct-hc-a,CT–HC,A,340.0,1.090
 ct-hc-b,CT–HC,B,338.7,1.0900
 ow-hw-a,OW–HW,A,553.0,0.9572
 ow-hw-b,OW–HW,B,548.1,0.9570