hzhangxyz's picture
Update the format of FCIDUMP ref energy to yaml.
479173e verified
'1.5': -108.60982288770778
'1.55': -108.75173026570847
'1.6': -108.8685772930971
'1.65': -108.96409366093951
'1.7': -109.04146490140641
'1.75': -109.10341960480886
'1.8': -109.15230049024413
'1.85': -109.19012288743384
'1.9': -109.21862285547923
'1.95': -109.23929699557867
'2.0': -109.25343569465755
'2.05': -109.26215119536513
'2.1': -109.26640157299208
'2.118': -109.26700117080436
'2.15': -109.2670114215505
'2.2': -109.26468982319798
'2.25': -109.26004600383081
'2.3': -109.25360296123536
'2.35': -109.2458092826848
'2.4': -109.23704933447178
'2.45': -109.22765199346655
'2.5': -109.21789808906263
'2.6': -109.19824066902487
'2.7': -109.17958073592312
'2.8': -109.16297329729622
'2.9': -109.14913019274404
'3.0': -109.13850362098502
'3.1': -109.13135396870156
'3.2': -109.12780446212484
'3.3': -109.12788358505486
'3.4': -109.13155624247317
'3.5': -109.13874536476945
'3.6': -109.14934624819351
'3.7': -109.16323601708446
'3.8': -109.18028018392414
'3.9': -109.20033762463156
'4.0': -109.22326465611943
'4.1': -109.24891846481785
'4.2': -109.27715991432537
'4.3': -109.30785569820686
'4.4': -109.34087982287421
'4.5': -109.37611444858786