Input 30-local_multipoles.02-multipoles.inp

Commits > Commit f22bb0bcca4b53614d336c5e83de089ff68b1baa > Run foss-cmake-zen4: [foss2023a-mpi, ci-foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
C - Start Arrow 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
C - End Arrow 0.000000000000000e+00 0.000000000000000e+00 1.000000000000000e-04 0.000000000000000e+00 PASS
H1 - Start Arrow 4.957190000000000e-01 4.957190000000000e-01 2.480000000000000e-05 0.000000000000000e+00 PASS
H1 - End Arrow 8.899220000000000e-01 8.899220000000000e-01 4.450000000000000e-05 0.000000000000000e+00 PASS
H3 - Start Arrow 6.462280000000000e-01 6.462280000000000e-01 3.230000000000000e-05 0.000000000000000e+00 PASS
H3 - End Arrow 7.394130000000000e-01 7.394130000000000e-01 3.700000000000000e-05 0.000000000000000e+00 PASS
Restart ld 6.000000000000000e+00 6.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
C - Restart shape 9.000000000000000e+00 9.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
H1 - Restart shape 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
H2 - Restart shape 1.000000000000000e+00 1.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
H3 - Restart shape 4.000000000000000e+00 4.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
H4 - Restart shape 2.000000000000000e+00 2.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
C Electrons 4.268872115090725e+00 4.268872115090712e+00 4.270000000000000e-14 1.332267629550188e-14 PASS
C Multipole x 1.880763955920556e-16 0.000000000000000e+00 1.000000000000000e-13 1.880763955920556e-16 PASS
C Multipole y -1.280848978575748e-15 0.000000000000000e+00 1.000000000000000e-13 -1.280848978575748e-15 PASS
C Multipole z -1.081888395728677e-15 0.000000000000000e+00 1.000000000000000e-13 -1.081888395728677e-15 PASS
H1 Electrons 1.853378781759894e+00 1.853378781759888e+00 1.850000000000000e-14 5.995204332975845e-15 PASS
H1 Multipole x 3.942026147098428e-01 3.942026147098400e-01 2.000000000000000e-14 2.775557561562891e-15 PASS
H1 Multipole y 3.942026147098425e-01 3.942026147098420e-01 2.000000000000000e-14 4.996003610813204e-16 PASS
H1 Multipole z 3.942026147098421e-01 3.942026147098409e-01 2.000000000000000e-14 1.165734175856414e-15 PASS
H2 Electrons 1.853378781759891e+00 1.853378781759887e+00 1.850000000000000e-14 3.996802888650564e-15 PASS
H2 Multipole x -3.942026147098406e-01 -3.942026147098388e-01 2.000000000000000e-14 -1.831867990631508e-15 PASS
H2 Multipole y -3.942026147098411e-01 -3.942026147098386e-01 2.000000000000000e-14 -2.553512956637860e-15 PASS
H2 Multipole z 3.942026147098409e-01 3.942026147098392e-01 2.000000000000000e-14 1.720845688168993e-15 PASS
H3 Electrons 8.373546248914624e-01 8.373546248914600e-01 4.190000000000000e-14 2.442490654175344e-15 PASS
H3 Multipole x 9.318561053244787e-02 9.318561053244732e-02 2.000000000000000e-14 5.412337245047638e-16 PASS
H3 Multipole y -9.318561053244792e-02 -9.318561053244724e-02 2.000000000000000e-14 -6.800116025829084e-16 PASS
H3 Multipole z -9.318561053244775e-02 -9.318561053244750e-02 2.000000000000000e-14 -2.498001805406602e-16 PASS
H4 Electrons 7.458234688609183e-01 7.458234688609147e-01 7.460000000000001e-15 3.663735981263017e-15 PASS
H4 Multipole x -7.825282446882484e-02 -7.825282446882423e-02 2.000000000000000e-14 -6.106226635438361e-16 PASS
H4 Multipole y 6.902547572312548e-02 6.902547572312534e-02 2.000000000000000e-14 1.387778780781446e-16 PASS
H4 Multipole z -6.902547572312542e-02 -6.902547572312492e-02 2.000000000000000e-14 -4.996003610813204e-16 PASS
H2-4 Electrons 5.309982578973455e+00 5.309982578973448e+00 5.310000000000000e-14 7.105427357601002e-15 PASS
H2-4 Multipole x -3.863550779525420e-01 -3.863550779525434e-01 2.000000000000000e-14 1.387778780781446e-15 PASS
H2-4 Multipole y -3.863550779525469e-01 -3.863550779525424e-01 2.000000000000000e-14 -4.440892098500626e-15 PASS
H2-4 Multipole z -3.863550779525457e-01 -3.863550779525454e-01 2.000000000000000e-14 -2.775557561562891e-16 PASS
H1 Start Arrow y 4.957190000000000e-01 4.957190000000000e-01 2.480000000000000e-05 0.000000000000000e+00 PASS
H1 Start Arrow z 4.957190000000000e-01 4.957190000000000e-01 2.480000000000000e-05 0.000000000000000e+00 PASS
H1 End Arrow y 8.899220000000000e-01 8.899220000000000e-01 4.450000000000000e-05 0.000000000000000e+00 PASS
H1 End Arrow z 8.899220000000000e-01 8.899220000000000e-01 4.450000000000000e-05 0.000000000000000e+00 PASS
H3 Start Arrow y -6.462280000000000e-01 -6.462280000000000e-01 3.230000000000000e-05 0.000000000000000e+00 PASS
H3 Start Arrow z -6.462280000000000e-01 -6.462280000000000e-01 3.230000000000000e-05 0.000000000000000e+00 PASS
H3 End Arrow y -7.394130000000000e-01 -7.394130000000000e-01 3.700000000000000e-05 0.000000000000000e+00 PASS
H3 End Arrow z -7.394130000000000e-01 -7.394130000000000e-01 3.700000000000000e-05 0.000000000000000e+00 PASS
H2-4 Start Arrow x -3.776300000000000e-02 -3.776300000000000e-02 3.780000000000000e-16 6.938893903907228e-18 PASS
H2-4 Start Arrow y -3.776300000000000e-02 -3.776300000000000e-02 3.780000000000000e-16 6.938893903907228e-18 PASS
H2-4 Start Arrow z -3.776300000000000e-02 -3.776300000000000e-02 3.780000000000000e-16 6.938893903907228e-18 PASS
H2-4 End Arrow x -4.241180000000000e-01 -4.241180000000000e-01 2.120000000000000e-05 0.000000000000000e+00 PASS
H2-4 End Arrow y -4.241180000000000e-01 -4.241180000000000e-01 2.120000000000000e-05 0.000000000000000e+00 PASS
H2-4 End Arrow z -4.241180000000000e-01 -4.241180000000000e-01 2.120000000000000e-05 0.000000000000000e+00 PASS
H2-4 Restart shape 3.000000000000000e+00 3.000000000000000e+00 1.000000000000000e-01 0.000000000000000e+00 PASS
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