Inv_test/results/result_psi4_a1e-08-m0-N2-l2-in.csv
2024-02-17 23:57:09 -05:00

8.6 KiB

1meshnlunixyzrpsi4ipsi4rpsi4_wlipsi4_wlrpsi4_erripsi4_errrpsi4_rel_erripsi4_rel_err
2Shell100-0.41.420.333.71106850063823e-063.52063728413796e-077.380932580022364e-090.03.7036875680582077e-063.52063728413796e-07501.7912747344165nan
3Shell101-0.41.420.332.9660442449126e-063.61000962535859e-107.380932580022364e-090.02.958663312332578e-063.61000962535859e-10400.85223381401124nan
4Shell102-0.41.420.332.95178178876197e-069.78070707093951e-127.380932580022364e-090.02.9444008561819476e-069.78070707093951e-12398.9198958613203nan
5Shell200-0.41.420.332.95188053922565e-06-3.44540799986124e-107.380932580022364e-090.02.9444996066456276e-06-3.44540799986124e-10398.9332749922918nan
6Shell201-0.41.420.332.95170993678313e-062.01314458304657e-147.380932580022364e-090.02.9443290042031076e-062.01314458304657e-14398.9101610509747nan
7Shell202-0.41.420.332.95170946416306e-063.84829329540974e-137.380932580022364e-090.02.9443285315830375e-063.84829329540974e-13398.91009701840636nan
8Shell400-0.41.420.332.95170996971809e-064.99899867986892e-147.380932580022364e-090.02.9443290371380677e-064.99899867986892e-14398.9101655131426nan
9Shell401-0.41.420.332.9517099571468e-061.50571028347145e-137.380932580022364e-090.02.944329024566778e-061.50571028347145e-13398.910163809931nan
10Shell402-0.41.420.332.95170601813876e-061.83746804621172e-137.380932580022364e-090.02.944325085558738e-061.83746804621172e-13398.9096301364423nan
11Shell100-0.41.420.333.71106850063823e-063.52063728413796e-077.380932580022364e-090.03.7036875680582077e-063.52063728413796e-07501.7912747344165nan
12Shell101-0.41.420.332.9660442449126e-063.61000962535859e-107.380932580022364e-090.02.958663312332578e-063.61000962535859e-10400.85223381401124nan
13Shell102-0.41.420.332.95178178876197e-069.78070707093951e-127.380932580022364e-090.02.9444008561819476e-069.78070707093951e-12398.9198958613203nan
14Shell200-0.41.420.332.95188053922565e-06-3.44540799986124e-107.380932580022364e-090.02.9444996066456276e-06-3.44540799986124e-10398.9332749922918nan
15Shell201-0.41.420.332.95170993678313e-062.01314458304657e-147.380932580022364e-090.02.9443290042031076e-062.01314458304657e-14398.9101610509747nan
16Shell202-0.41.420.332.95170946416306e-063.84829329540974e-137.380932580022364e-090.02.9443285315830375e-063.84829329540974e-13398.91009701840636nan
17Shell400-0.41.420.332.95170996971809e-064.99899867986892e-147.380932580022364e-090.02.9443290371380677e-064.99899867986892e-14398.9101655131426nan
18Shell401-0.41.420.332.9517099571468e-061.50571028347145e-137.380932580022364e-090.02.944329024566778e-061.50571028347145e-13398.910163809931nan
19Shell402-0.41.420.332.95170601813876e-061.83746804621172e-137.380932580022364e-090.02.944325085558738e-061.83746804621172e-13398.9096301364423nan
20Shell100-0.41.420.333.71106850063823e-063.52063728413796e-077.380932580022364e-090.03.7036875680582077e-063.52063728413796e-07501.7912747344165nan
21Shell101-0.41.420.332.9660442449126e-063.61000962535859e-107.380932580022364e-090.02.958663312332578e-063.61000962535859e-10400.85223381401124nan
22Shell102-0.41.420.332.95178178876197e-069.78070707093951e-127.380932580022364e-090.02.9444008561819476e-069.78070707093951e-12398.9198958613203nan
23Shell200-0.41.420.332.95188053922565e-06-3.44540799986124e-107.380932580022364e-090.02.9444996066456276e-06-3.44540799986124e-10398.9332749922918nan
24Shell201-0.41.420.332.95170993678313e-062.01314458304657e-147.380932580022364e-090.02.9443290042031076e-062.01314458304657e-14398.9101610509747nan
25Shell202-0.41.420.332.95170946416306e-063.84829329540974e-137.380932580022364e-090.02.9443285315830375e-063.84829329540974e-13398.91009701840636nan
26Shell400-0.41.420.332.95170996971809e-064.99899867986892e-147.380932580022364e-090.02.9443290371380677e-064.99899867986892e-14398.9101655131426nan
27Shell401-0.41.420.332.9517099571468e-061.50571028347145e-137.380932580022364e-090.02.944329024566778e-061.50571028347145e-13398.910163809931nan
28Shell402-0.41.420.332.95170601813876e-061.83746804621172e-137.380932580022364e-090.02.944325085558738e-061.83746804621172e-13398.9096301364423nan
29Shell100-0.41.420.333.71106850063823e-063.52063728413796e-077.380932580022364e-090.03.7036875680582077e-063.52063728413796e-07501.7912747344165nan
30Shell101-0.41.420.332.9660442449126e-063.61000962535859e-107.380932580022364e-090.02.958663312332578e-063.61000962535859e-10400.85223381401124nan
31Shell102-0.41.420.332.95178178876197e-069.78070707093951e-127.380932580022364e-090.02.9444008561819476e-069.78070707093951e-12398.9198958613203nan
32Shell200-0.41.420.332.95188053922565e-06-3.44540799986124e-107.380932580022364e-090.02.9444996066456276e-06-3.44540799986124e-10398.9332749922918nan
33Shell201-0.41.420.332.95170993678313e-062.01314458304657e-147.380932580022364e-090.02.9443290042031076e-062.01314458304657e-14398.9101610509747nan
34Shell202-0.41.420.332.95170946416306e-063.84829329540974e-137.380932580022364e-090.02.9443285315830375e-063.84829329540974e-13398.91009701840636nan
35Shell400-0.41.420.332.95170996971809e-064.99899867986892e-147.380932580022364e-090.02.9443290371380677e-064.99899867986892e-14398.9101655131426nan
36Shell401-0.41.420.332.9517099571468e-061.50571028347145e-137.380932580022364e-090.02.944329024566778e-061.50571028347145e-13398.910163809931nan
37Shell402-0.41.420.332.95170601813876e-061.83746804621172e-137.380932580022364e-090.02.944325085558738e-061.83746804621172e-13398.9096301364423nan
38Shell100-0.41.420.333.71106850063823e-063.52063728413796e-077.380932580022364e-090.03.7036875680582077e-063.52063728413796e-07501.7912747344165nan
39Shell101-0.41.420.332.9660442449126e-063.61000962535859e-107.380932580022364e-090.02.958663312332578e-063.61000962535859e-10400.85223381401124nan
40Shell102-0.41.420.332.95178178876197e-069.78070707093951e-127.380932580022364e-090.02.9444008561819476e-069.78070707093951e-12398.9198958613203nan
41Shell200-0.41.420.332.95188053922565e-06-3.44540799986124e-107.380932580022364e-090.02.9444996066456276e-06-3.44540799986124e-10398.9332749922918nan
42Shell201-0.41.420.332.95170993678313e-062.01314458304657e-147.380932580022364e-090.02.9443290042031076e-062.01314458304657e-14398.9101610509747nan
43Shell202-0.41.420.332.95170946416306e-063.84829329540974e-137.380932580022364e-090.02.9443285315830375e-063.84829329540974e-13398.91009701840636nan
44Shell400-0.41.420.332.95170996971809e-064.99899867986892e-147.380932580022364e-090.02.9443290371380677e-064.99899867986892e-14398.9101655131426nan
45Shell401-0.41.420.332.9517099571468e-061.50571028347145e-137.380932580022364e-090.02.944329024566778e-061.50571028347145e-13398.910163809931nan
46Shell402-0.41.420.332.95170601813876e-061.83746804621172e-137.380932580022364e-090.02.944325085558738e-061.83746804621172e-13398.9096301364423nan
47Shell100-0.41.420.333.71106850063823e-063.52063728413796e-077.380932580022364e-090.03.7036875680582077e-063.52063728413796e-07501.7912747344165nan
48Shell101-0.41.420.332.9660442449126e-063.61000962535859e-107.380932580022364e-090.02.958663312332578e-063.61000962535859e-10400.85223381401124nan
49Shell102-0.41.420.332.95178178876197e-069.78070707093951e-127.380932580022364e-090.02.9444008561819476e-069.78070707093951e-12398.9198958613203nan
50Shell200-0.41.420.332.95188053922565e-06-3.44540799986124e-107.380932580022364e-090.02.9444996066456276e-06-3.44540799986124e-10398.9332749922918nan
51Shell201-0.41.420.332.95170993678313e-062.01314458304657e-147.380932580022364e-090.02.9443290042031076e-062.01314458304657e-14398.9101610509747nan
52Shell202-0.41.420.332.95170946416306e-063.84829329540974e-137.380932580022364e-090.02.9443285315830375e-063.84829329540974e-13398.91009701840636nan
53Shell400-0.41.420.332.95170996971809e-064.99899867986892e-147.380932580022364e-090.02.9443290371380677e-064.99899867986892e-14398.9101655131426nan
54Shell401-0.41.420.332.9517099571468e-061.50571028347145e-137.380932580022364e-090.02.944329024566778e-061.50571028347145e-13398.910163809931nan
55Shell402-0.41.420.332.95170601813876e-061.83746804621172e-137.380932580022364e-090.02.944325085558738e-061.83746804621172e-13398.9096301364423nan