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

8.5 KiB

1meshnlunixyzrpsi4ipsi4rpsi4_wlipsi4_wlrpsi4_erripsi4_errrpsi4_rel_erripsi4_rel_err
2Shell100-0.41.420.334.46100858944369e-077.47581126417311e-081.605601930326056e-090.04.4449525701404295e-077.47581126417311e-08276.84026072625454nan
3Shell101-0.41.420.336.42445361066961e-071.48728605368037e-101.605601930326056e-090.06.40839759136635e-071.48728605368037e-10399.12742195476625nan
4Shell102-0.41.420.336.40465031645625e-071.95605304607456e-121.605601930326056e-090.06.388594297152989e-071.95605304607456e-12397.89403441085994nan
5Shell200-0.41.420.336.40534052621551e-07-6.95816039980948e-111.605601930326056e-090.06.38928450691225e-07-6.95816039980948e-11397.937022012346nan
6Shell201-0.41.420.336.40454060228186e-076.27924111076014e-151.605601930326056e-090.06.388484582978599e-076.27924111076014e-15397.8872011994445nan
7Shell202-0.41.420.336.40455931417982e-071.7907100855395e-131.605601930326056e-090.06.38850329487656e-071.7907100855395e-13397.8883666127146nan
8Shell400-0.41.420.336.4045405385925e-073.51665584402883e-141.605601930326056e-090.06.388484519289239e-073.51665584402883e-14397.8871972327477nan
9Shell401-0.41.420.336.40454238552519e-071.16841571058429e-131.605601930326056e-090.06.38848636622193e-071.16841571058429e-13397.8873122632952nan
10Shell402-0.41.420.336.40444156826566e-07-2.61087237482186e-131.605601930326056e-090.06.3883855489624e-07-2.61087237482186e-13397.8810331689801nan
11Shell100-0.41.420.334.46100858944369e-077.47581126417311e-081.605601930326056e-090.04.4449525701404295e-077.47581126417311e-08276.84026072625454nan
12Shell101-0.41.420.336.42445361066961e-071.48728605368037e-101.605601930326056e-090.06.40839759136635e-071.48728605368037e-10399.12742195476625nan
13Shell102-0.41.420.336.40465031645625e-071.95605304607456e-121.605601930326056e-090.06.388594297152989e-071.95605304607456e-12397.89403441085994nan
14Shell200-0.41.420.336.40534052621551e-07-6.95816039980948e-111.605601930326056e-090.06.38928450691225e-07-6.95816039980948e-11397.937022012346nan
15Shell201-0.41.420.336.40454060228186e-076.27924111076014e-151.605601930326056e-090.06.388484582978599e-076.27924111076014e-15397.8872011994445nan
16Shell202-0.41.420.336.40455931417982e-071.7907100855395e-131.605601930326056e-090.06.38850329487656e-071.7907100855395e-13397.8883666127146nan
17Shell400-0.41.420.336.4045405385925e-073.51665584402883e-141.605601930326056e-090.06.388484519289239e-073.51665584402883e-14397.8871972327477nan
18Shell401-0.41.420.336.40454238552519e-071.16841571058429e-131.605601930326056e-090.06.38848636622193e-071.16841571058429e-13397.8873122632952nan
19Shell402-0.41.420.336.40444156826566e-07-2.61087237482186e-131.605601930326056e-090.06.3883855489624e-07-2.61087237482186e-13397.8810331689801nan
20Shell100-0.41.420.334.46100858944369e-077.47581126417311e-081.605601930326056e-090.04.4449525701404295e-077.47581126417311e-08276.84026072625454nan
21Shell101-0.41.420.336.42445361066961e-071.48728605368037e-101.605601930326056e-090.06.40839759136635e-071.48728605368037e-10399.12742195476625nan
22Shell102-0.41.420.336.40465031645625e-071.95605304607456e-121.605601930326056e-090.06.388594297152989e-071.95605304607456e-12397.89403441085994nan
23Shell200-0.41.420.336.40534052621551e-07-6.95816039980948e-111.605601930326056e-090.06.38928450691225e-07-6.95816039980948e-11397.937022012346nan
24Shell201-0.41.420.336.40454060228186e-076.27924111076014e-151.605601930326056e-090.06.388484582978599e-076.27924111076014e-15397.8872011994445nan
25Shell202-0.41.420.336.40455931417982e-071.7907100855395e-131.605601930326056e-090.06.38850329487656e-071.7907100855395e-13397.8883666127146nan
26Shell400-0.41.420.336.4045405385925e-073.51665584402883e-141.605601930326056e-090.06.388484519289239e-073.51665584402883e-14397.8871972327477nan
27Shell401-0.41.420.336.40454238552519e-071.16841571058429e-131.605601930326056e-090.06.38848636622193e-071.16841571058429e-13397.8873122632952nan
28Shell402-0.41.420.336.40444156826566e-07-2.61087237482186e-131.605601930326056e-090.06.3883855489624e-07-2.61087237482186e-13397.8810331689801nan
29Shell100-0.41.420.334.46100858944369e-077.47581126417311e-081.605601930326056e-090.04.4449525701404295e-077.47581126417311e-08276.84026072625454nan
30Shell101-0.41.420.336.42445361066961e-071.48728605368037e-101.605601930326056e-090.06.40839759136635e-071.48728605368037e-10399.12742195476625nan
31Shell102-0.41.420.336.40465031645625e-071.95605304607456e-121.605601930326056e-090.06.388594297152989e-071.95605304607456e-12397.89403441085994nan
32Shell200-0.41.420.336.40534052621551e-07-6.95816039980948e-111.605601930326056e-090.06.38928450691225e-07-6.95816039980948e-11397.937022012346nan
33Shell201-0.41.420.336.40454060228186e-076.27924111076014e-151.605601930326056e-090.06.388484582978599e-076.27924111076014e-15397.8872011994445nan
34Shell202-0.41.420.336.40455931417982e-071.7907100855395e-131.605601930326056e-090.06.38850329487656e-071.7907100855395e-13397.8883666127146nan
35Shell400-0.41.420.336.4045405385925e-073.51665584402883e-141.605601930326056e-090.06.388484519289239e-073.51665584402883e-14397.8871972327477nan
36Shell401-0.41.420.336.40454238552519e-071.16841571058429e-131.605601930326056e-090.06.38848636622193e-071.16841571058429e-13397.8873122632952nan
37Shell402-0.41.420.336.40444156826566e-07-2.61087237482186e-131.605601930326056e-090.06.3883855489624e-07-2.61087237482186e-13397.8810331689801nan
38Shell100-0.41.420.334.46100858944369e-077.47581126417311e-081.605601930326056e-090.04.4449525701404295e-077.47581126417311e-08276.84026072625454nan
39Shell101-0.41.420.336.42445361066961e-071.48728605368037e-101.605601930326056e-090.06.40839759136635e-071.48728605368037e-10399.12742195476625nan
40Shell102-0.41.420.336.40465031645625e-071.95605304607456e-121.605601930326056e-090.06.388594297152989e-071.95605304607456e-12397.89403441085994nan
41Shell200-0.41.420.336.40534052621551e-07-6.95816039980948e-111.605601930326056e-090.06.38928450691225e-07-6.95816039980948e-11397.937022012346nan
42Shell201-0.41.420.336.40454060228186e-076.27924111076014e-151.605601930326056e-090.06.388484582978599e-076.27924111076014e-15397.8872011994445nan
43Shell202-0.41.420.336.40455931417982e-071.7907100855395e-131.605601930326056e-090.06.38850329487656e-071.7907100855395e-13397.8883666127146nan
44Shell400-0.41.420.336.4045405385925e-073.51665584402883e-141.605601930326056e-090.06.388484519289239e-073.51665584402883e-14397.8871972327477nan
45Shell401-0.41.420.336.40454238552519e-071.16841571058429e-131.605601930326056e-090.06.38848636622193e-071.16841571058429e-13397.8873122632952nan
46Shell402-0.41.420.336.40444156826566e-07-2.61087237482186e-131.605601930326056e-090.06.3883855489624e-07-2.61087237482186e-13397.8810331689801nan
47Shell100-0.41.420.334.46100858944369e-077.47581126417311e-081.605601930326056e-090.04.4449525701404295e-077.47581126417311e-08276.84026072625454nan
48Shell101-0.41.420.336.42445361066961e-071.48728605368037e-101.605601930326056e-090.06.40839759136635e-071.48728605368037e-10399.12742195476625nan
49Shell102-0.41.420.336.40465031645625e-071.95605304607456e-121.605601930326056e-090.06.388594297152989e-071.95605304607456e-12397.89403441085994nan
50Shell200-0.41.420.336.40534052621551e-07-6.95816039980948e-111.605601930326056e-090.06.38928450691225e-07-6.95816039980948e-11397.937022012346nan
51Shell201-0.41.420.336.40454060228186e-076.27924111076014e-151.605601930326056e-090.06.388484582978599e-076.27924111076014e-15397.8872011994445nan
52Shell202-0.41.420.336.40455931417982e-071.7907100855395e-131.605601930326056e-090.06.38850329487656e-071.7907100855395e-13397.8883666127146nan
53Shell400-0.41.420.336.4045405385925e-073.51665584402883e-141.605601930326056e-090.06.388484519289239e-073.51665584402883e-14397.8871972327477nan
54Shell401-0.41.420.336.40454238552519e-071.16841571058429e-131.605601930326056e-090.06.38848636622193e-071.16841571058429e-13397.8873122632952nan
55Shell402-0.41.420.336.40444156826566e-07-2.61087237482186e-131.605601930326056e-090.06.3883855489624e-07-2.61087237482186e-13397.8810331689801nan