Inv_test/result_psi4_a1e-08-m0-N3-l2-out.csv
2024-02-17 23:48:28 -05:00

6.9 KiB

1meshnlunixyzrpsi4ipsi4rpsi4_wlipsi4_wlrpsi4_erripsi4_errrpsi4_rel_erripsi4_rel_err
2Shell100-0.41.420.33-0.000163664477521662-7.75419083715694e-081.605601930326056e-090.0-0.00016366608312359232-7.75419083715694e-08-101934.40854319102nan
3Shell101-0.41.420.33-0.0001636517140485284.39883515934227e-111.605601930326056e-090.0-0.000163653319650458324.39883515934227e-11-101926.4592047573nan
4Shell102-0.41.420.33-0.000163651057669087-2.14176438286747e-121.605601930326056e-090.0-0.00016365266327101732-2.14176438286747e-12-101926.05039892031nan
5Shell200-0.41.420.33-0.0001636512169561546.31049299120876e-111.605601930326056e-090.0-0.000163652822558084336.31049299120876e-11-101926.14960599274nan
6Shell201-0.41.420.33-0.0001636510511037562.10147751316478e-141.605601930326056e-090.0-0.000163652656705686332.10147751316478e-14-101926.04630990492nan
7Shell202-0.41.420.33-0.0001636510493028373.91621277988758e-131.605601930326056e-090.0-0.000163652654904767323.91621277988758e-13-101926.04518825766nan
8Shell400-0.41.420.33-0.0001636510510565583.32382497378837e-141.605601930326056e-090.0-0.000163652656658488323.32382497378837e-14-101926.0462805091nan
9Shell401-0.41.420.33-0.0001636510504760671.8791395742661e-131.605601930326056e-090.0-0.000163652656077997321.8791395742661e-13-101926.04591896804nan
10Shell402-0.41.420.33-0.000163651050141891-1.73398339869236e-121.605601930326056e-090.0-0.00016365265574382133-1.73398339869236e-12-101926.04571083676nan
11Shell100-0.41.420.33-0.000163664477521662-7.75419083715694e-081.605601930326056e-090.0-0.00016366608312359232-7.75419083715694e-08-101934.40854319102nan
12Shell101-0.41.420.33-0.0001636517140485284.39883515934227e-111.605601930326056e-090.0-0.000163653319650458324.39883515934227e-11-101926.4592047573nan
13Shell102-0.41.420.33-0.000163651057669087-2.14176438286747e-121.605601930326056e-090.0-0.00016365266327101732-2.14176438286747e-12-101926.05039892031nan
14Shell200-0.41.420.33-0.0001636512169561546.31049299120876e-111.605601930326056e-090.0-0.000163652822558084336.31049299120876e-11-101926.14960599274nan
15Shell201-0.41.420.33-0.0001636510511037562.10147751316478e-141.605601930326056e-090.0-0.000163652656705686332.10147751316478e-14-101926.04630990492nan
16Shell202-0.41.420.33-0.0001636510493028373.91621277988758e-131.605601930326056e-090.0-0.000163652654904767323.91621277988758e-13-101926.04518825766nan
17Shell400-0.41.420.33-0.0001636510510565583.32382497378837e-141.605601930326056e-090.0-0.000163652656658488323.32382497378837e-14-101926.0462805091nan
18Shell401-0.41.420.33-0.0001636510504760671.8791395742661e-131.605601930326056e-090.0-0.000163652656077997321.8791395742661e-13-101926.04591896804nan
19Shell402-0.41.420.33-0.000163651050141891-1.73398339869236e-121.605601930326056e-090.0-0.00016365265574382133-1.73398339869236e-12-101926.04571083676nan
20Shell100-0.41.420.33-0.000163664477521662-7.75419083715694e-081.605601930326056e-090.0-0.00016366608312359232-7.75419083715694e-08-101934.40854319102nan
21Shell101-0.41.420.33-0.0001636517140485284.39883515934227e-111.605601930326056e-090.0-0.000163653319650458324.39883515934227e-11-101926.4592047573nan
22Shell102-0.41.420.33-0.000163651057669087-2.14176438286747e-121.605601930326056e-090.0-0.00016365266327101732-2.14176438286747e-12-101926.05039892031nan
23Shell200-0.41.420.33-0.0001636512169561546.31049299120876e-111.605601930326056e-090.0-0.000163652822558084336.31049299120876e-11-101926.14960599274nan
24Shell201-0.41.420.33-0.0001636510511037562.10147751316478e-141.605601930326056e-090.0-0.000163652656705686332.10147751316478e-14-101926.04630990492nan
25Shell202-0.41.420.33-0.0001636510493028373.91621277988758e-131.605601930326056e-090.0-0.000163652654904767323.91621277988758e-13-101926.04518825766nan
26Shell400-0.41.420.33-0.0001636510510565583.32382497378837e-141.605601930326056e-090.0-0.000163652656658488323.32382497378837e-14-101926.0462805091nan
27Shell401-0.41.420.33-0.0001636510504760671.8791395742661e-131.605601930326056e-090.0-0.000163652656077997321.8791395742661e-13-101926.04591896804nan
28Shell402-0.41.420.33-0.000163651050141891-1.73398339869236e-121.605601930326056e-090.0-0.00016365265574382133-1.73398339869236e-12-101926.04571083676nan
29Shell100-0.41.420.33-0.000163664477521662-7.75419083715694e-081.605601930326056e-090.0-0.00016366608312359232-7.75419083715694e-08-101934.40854319102nan
30Shell101-0.41.420.33-0.0001636517140485284.39883515934227e-111.605601930326056e-090.0-0.000163653319650458324.39883515934227e-11-101926.4592047573nan
31Shell102-0.41.420.33-0.000163651057669087-2.14176438286747e-121.605601930326056e-090.0-0.00016365266327101732-2.14176438286747e-12-101926.05039892031nan
32Shell200-0.41.420.33-0.0001636512169561546.31049299120876e-111.605601930326056e-090.0-0.000163652822558084336.31049299120876e-11-101926.14960599274nan
33Shell201-0.41.420.33-0.0001636510511037562.10147751316478e-141.605601930326056e-090.0-0.000163652656705686332.10147751316478e-14-101926.04630990492nan
34Shell202-0.41.420.33-0.0001636510493028373.91621277988758e-131.605601930326056e-090.0-0.000163652654904767323.91621277988758e-13-101926.04518825766nan
35Shell400-0.41.420.33-0.0001636510510565583.32382497378837e-141.605601930326056e-090.0-0.000163652656658488323.32382497378837e-14-101926.0462805091nan
36Shell401-0.41.420.33-0.0001636510504760671.8791395742661e-131.605601930326056e-090.0-0.000163652656077997321.8791395742661e-13-101926.04591896804nan
37Shell402-0.41.420.33-0.000163651050141891-1.73398339869236e-121.605601930326056e-090.0-0.00016365265574382133-1.73398339869236e-12-101926.04571083676nan
38Shell100-0.41.420.33-0.000163664477521662-7.75419083715694e-081.605601930326056e-090.0-0.00016366608312359232-7.75419083715694e-08-101934.40854319102nan
39Shell101-0.41.420.33-0.0001636517140485284.39883515934227e-111.605601930326056e-090.0-0.000163653319650458324.39883515934227e-11-101926.4592047573nan
40Shell102-0.41.420.33-0.000163651057669087-2.14176438286747e-121.605601930326056e-090.0-0.00016365266327101732-2.14176438286747e-12-101926.05039892031nan
41Shell200-0.41.420.33-0.0001636512169561546.31049299120876e-111.605601930326056e-090.0-0.000163652822558084336.31049299120876e-11-101926.14960599274nan
42Shell201-0.41.420.33-0.0001636510511037562.10147751316478e-141.605601930326056e-090.0-0.000163652656705686332.10147751316478e-14-101926.04630990492nan
43Shell202-0.41.420.33-0.0001636510493028373.91621277988758e-131.605601930326056e-090.0-0.000163652654904767323.91621277988758e-13-101926.04518825766nan