Inv_test/results/result_psi4_a1e-08-m0-N3-l1-out.csv
2024-02-17 23:57:09 -05:00

8.5 KiB

1meshnlunixyzrpsi4ipsi4rpsi4_wlipsi4_wlrpsi4_erripsi4_errrpsi4_rel_erripsi4_rel_err
2Shell100-0.41.420.330.000164033302042974-1.00995996735499e-075.32639198817873e-100.00.0001640327694037752-1.00995996735499e-07307962.25619110593nan
3Shell101-0.41.420.330.000164792625980254-9.36298980636821e-115.32639198817873e-100.00.00016479209334105519-9.36298980636821e-11309387.8439791719nan
4Shell102-0.41.420.330.000164789105029284-2.34855196985435e-125.32639198817873e-100.00.0001647885723900852-2.34855196985435e-12309381.23359267047nan
5Shell200-0.41.420.330.0001647890270202739.77979246674705e-115.32639198817873e-100.00.00016478849438107429.77979246674705e-11309381.08713516005nan
6Shell201-0.41.420.330.0001647890139982695.78532925006476e-145.32639198817873e-100.00.00016478848135907025.78532925006476e-14309381.0626870833nan
7Shell202-0.41.420.330.00016478901294242.54506237520069e-135.32639198817873e-100.00.00016478848030320122.54506237520069e-13309381.06070474896nan
8Shell400-0.41.420.330.0001647890140015383.53967878801034e-145.32639198817873e-100.00.00016478848136233923.53967878801034e-14309381.0626932207nan
9Shell401-0.41.420.330.0001647890145080753.31480187594356e-145.32639198817873e-100.00.00016478848186887623.31480187594356e-14309381.0636442153nan
10Shell402-0.41.420.330.000164789008946226-1.4199994741456e-125.32639198817873e-100.00.00016478847630702718-1.4199994741456e-12309381.053202158nan
11Shell100-0.41.420.330.000164033302042974-1.00995996735499e-075.32639198817873e-100.00.0001640327694037752-1.00995996735499e-07307962.25619110593nan
12Shell101-0.41.420.330.000164792625980254-9.36298980636821e-115.32639198817873e-100.00.00016479209334105519-9.36298980636821e-11309387.8439791719nan
13Shell102-0.41.420.330.000164789105029284-2.34855196985435e-125.32639198817873e-100.00.0001647885723900852-2.34855196985435e-12309381.23359267047nan
14Shell200-0.41.420.330.0001647890270202739.77979246674705e-115.32639198817873e-100.00.00016478849438107429.77979246674705e-11309381.08713516005nan
15Shell201-0.41.420.330.0001647890139982695.78532925006476e-145.32639198817873e-100.00.00016478848135907025.78532925006476e-14309381.0626870833nan
16Shell202-0.41.420.330.00016478901294242.54506237520069e-135.32639198817873e-100.00.00016478848030320122.54506237520069e-13309381.06070474896nan
17Shell400-0.41.420.330.0001647890140015383.53967878801034e-145.32639198817873e-100.00.00016478848136233923.53967878801034e-14309381.0626932207nan
18Shell401-0.41.420.330.0001647890145080753.31480187594356e-145.32639198817873e-100.00.00016478848186887623.31480187594356e-14309381.0636442153nan
19Shell402-0.41.420.330.000164789008946226-1.4199994741456e-125.32639198817873e-100.00.00016478847630702718-1.4199994741456e-12309381.053202158nan
20Shell100-0.41.420.330.000164033302042974-1.00995996735499e-075.32639198817873e-100.00.0001640327694037752-1.00995996735499e-07307962.25619110593nan
21Shell101-0.41.420.330.000164792625980254-9.36298980636821e-115.32639198817873e-100.00.00016479209334105519-9.36298980636821e-11309387.8439791719nan
22Shell102-0.41.420.330.000164789105029284-2.34855196985435e-125.32639198817873e-100.00.0001647885723900852-2.34855196985435e-12309381.23359267047nan
23Shell200-0.41.420.330.0001647890270202739.77979246674705e-115.32639198817873e-100.00.00016478849438107429.77979246674705e-11309381.08713516005nan
24Shell201-0.41.420.330.0001647890139982695.78532925006476e-145.32639198817873e-100.00.00016478848135907025.78532925006476e-14309381.0626870833nan
25Shell202-0.41.420.330.00016478901294242.54506237520069e-135.32639198817873e-100.00.00016478848030320122.54506237520069e-13309381.06070474896nan
26Shell400-0.41.420.330.0001647890140015383.53967878801034e-145.32639198817873e-100.00.00016478848136233923.53967878801034e-14309381.0626932207nan
27Shell401-0.41.420.330.0001647890145080753.31480187594356e-145.32639198817873e-100.00.00016478848186887623.31480187594356e-14309381.0636442153nan
28Shell402-0.41.420.330.000164789008946226-1.4199994741456e-125.32639198817873e-100.00.00016478847630702718-1.4199994741456e-12309381.053202158nan
29Shell100-0.41.420.330.000164033302042974-1.00995996735499e-075.32639198817873e-100.00.0001640327694037752-1.00995996735499e-07307962.25619110593nan
30Shell101-0.41.420.330.000164792625980254-9.36298980636821e-115.32639198817873e-100.00.00016479209334105519-9.36298980636821e-11309387.8439791719nan
31Shell102-0.41.420.330.000164789105029284-2.34855196985435e-125.32639198817873e-100.00.0001647885723900852-2.34855196985435e-12309381.23359267047nan
32Shell200-0.41.420.330.0001647890270202739.77979246674705e-115.32639198817873e-100.00.00016478849438107429.77979246674705e-11309381.08713516005nan
33Shell201-0.41.420.330.0001647890139982695.78532925006476e-145.32639198817873e-100.00.00016478848135907025.78532925006476e-14309381.0626870833nan
34Shell202-0.41.420.330.00016478901294242.54506237520069e-135.32639198817873e-100.00.00016478848030320122.54506237520069e-13309381.06070474896nan
35Shell400-0.41.420.330.0001647890140015383.53967878801034e-145.32639198817873e-100.00.00016478848136233923.53967878801034e-14309381.0626932207nan
36Shell401-0.41.420.330.0001647890145080753.31480187594356e-145.32639198817873e-100.00.00016478848186887623.31480187594356e-14309381.0636442153nan
37Shell402-0.41.420.330.000164789008946226-1.4199994741456e-125.32639198817873e-100.00.00016478847630702718-1.4199994741456e-12309381.053202158nan
38Shell100-0.41.420.330.000164033302042974-1.00995996735499e-075.32639198817873e-100.00.0001640327694037752-1.00995996735499e-07307962.25619110593nan
39Shell101-0.41.420.330.000164792625980254-9.36298980636821e-115.32639198817873e-100.00.00016479209334105519-9.36298980636821e-11309387.8439791719nan
40Shell102-0.41.420.330.000164789105029284-2.34855196985435e-125.32639198817873e-100.00.0001647885723900852-2.34855196985435e-12309381.23359267047nan
41Shell200-0.41.420.330.0001647890270202739.77979246674705e-115.32639198817873e-100.00.00016478849438107429.77979246674705e-11309381.08713516005nan
42Shell201-0.41.420.330.0001647890139982695.78532925006476e-145.32639198817873e-100.00.00016478848135907025.78532925006476e-14309381.0626870833nan
43Shell202-0.41.420.330.00016478901294242.54506237520069e-135.32639198817873e-100.00.00016478848030320122.54506237520069e-13309381.06070474896nan
44Shell400-0.41.420.330.0001647890140015383.53967878801034e-145.32639198817873e-100.00.00016478848136233923.53967878801034e-14309381.0626932207nan
45Shell401-0.41.420.330.0001647890145080753.31480187594356e-145.32639198817873e-100.00.00016478848186887623.31480187594356e-14309381.0636442153nan
46Shell402-0.41.420.330.000164789008946226-1.4199994741456e-125.32639198817873e-100.00.00016478847630702718-1.4199994741456e-12309381.053202158nan
47Shell100-0.41.420.330.000164033302042974-1.00995996735499e-075.32639198817873e-100.00.0001640327694037752-1.00995996735499e-07307962.25619110593nan
48Shell101-0.41.420.330.000164792625980254-9.36298980636821e-115.32639198817873e-100.00.00016479209334105519-9.36298980636821e-11309387.8439791719nan
49Shell102-0.41.420.330.000164789105029284-2.34855196985435e-125.32639198817873e-100.00.0001647885723900852-2.34855196985435e-12309381.23359267047nan
50Shell200-0.41.420.330.0001647890270202739.77979246674705e-115.32639198817873e-100.00.00016478849438107429.77979246674705e-11309381.08713516005nan
51Shell201-0.41.420.330.0001647890139982695.78532925006476e-145.32639198817873e-100.00.00016478848135907025.78532925006476e-14309381.0626870833nan
52Shell202-0.41.420.330.00016478901294242.54506237520069e-135.32639198817873e-100.00.00016478848030320122.54506237520069e-13309381.06070474896nan
53Shell400-0.41.420.330.0001647890140015383.53967878801034e-145.32639198817873e-100.00.00016478848136233923.53967878801034e-14309381.0626932207nan
54Shell401-0.41.420.330.0001647890145080753.31480187594356e-145.32639198817873e-100.00.00016478848186887623.31480187594356e-14309381.0636442153nan
55Shell402-0.41.420.330.000164789008946226-1.4199994741456e-125.32639198817873e-100.00.00016478847630702718-1.4199994741456e-12309381.053202158nan