Input 30-local_multipoles.03-multipoles_restart.inp

Commits > Commit fb3b67f6830f0e047754886f078a46875acffbf8 > 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 4.268872115090730e+00 4.268872115090712e+00 4.270000000000000e-14 1.776356839400250e-14 PASS
C Multipole x 2.065358384358337e-15 0.000000000000000e+00 1.000000000000000e-13 2.065358384358337e-15 PASS
C Multipole y -1.250944481500301e-15 0.000000000000000e+00 1.000000000000000e-13 -1.250944481500301e-15 PASS
C Multipole z 6.163951644764855e-16 0.000000000000000e+00 1.000000000000000e-13 6.163951644764855e-16 PASS
H1 Electrons 1.853378781759893e+00 1.853378781759888e+00 1.850000000000000e-14 4.662936703425657e-15 PASS
H1 Multipole x 3.942026147098431e-01 3.942026147098400e-01 1.970000000000000e-14 3.108624468950438e-15 PASS
H1 Multipole y 3.942026147098428e-01 3.942026147098420e-01 3.940000000000000e-15 7.771561172376096e-16 PASS
H1 Multipole z 3.942026147098431e-01 3.942026147098409e-01 3.940000000000000e-15 2.220446049250313e-15 PASS
H2 Electrons 1.853378781759893e+00 1.853378781759887e+00 1.850000000000000e-14 5.551115123125783e-15 PASS
H2 Multipole x -3.942026147098412e-01 -3.942026147098388e-01 4.000000000000000e-15 -2.442490654175344e-15 PASS
H2 Multipole y -3.942026147098422e-01 -3.942026147098386e-01 3.940000000000000e-15 -3.608224830031759e-15 PASS
H2 Multipole z 3.942026147098422e-01 3.942026147098392e-01 3.940000000000000e-15 2.997602166487923e-15 PASS
H3 Electrons 8.373546248914621e-01 8.373546248914600e-01 4.190000000000000e-14 2.109423746787797e-15 PASS
H3 Multipole x 9.318561053244799e-02 9.318561053244732e-02 1.180000000000000e-15 6.661338147750939e-16 PASS
H3 Multipole y -9.318561053244816e-02 -9.318561053244724e-02 4.660000000000000e-15 -9.159339953157541e-16 PASS
H3 Multipole z -9.318561053244805e-02 -9.318561053244750e-02 9.320000000000000e-16 -5.412337245047638e-16 PASS
H4 Electrons 7.458234688609188e-01 7.458234688609147e-01 7.460000000000001e-15 4.107825191113079e-15 PASS
H4 Multipole x -7.825282446882513e-02 -7.825282446882423e-02 8.780000000000000e-16 -9.020562075079397e-16 FAIL
H4 Multipole y 6.902547572312583e-02 6.902547572312534e-02 6.900000000000000e-16 4.857225732735060e-16 PASS
H4 Multipole z -6.902547572312583e-02 -6.902547572312492e-02 6.900000000000000e-16 -9.020562075079397e-16 FAIL
H2-4 Electrons 5.309982578973459e+00 5.309982578973448e+00 5.310000000000000e-14 1.154631945610163e-14 PASS
H2-4 Multipole x -3.863550779525420e-01 -3.863550779525434e-01 4.580000000000000e-15 1.387778780781446e-15 PASS
H2-4 Multipole y -3.863550779525480e-01 -3.863550779525424e-01 3.970000000000000e-15 -5.606626274357041e-15 FAIL
H2-4 Multipole z -3.863550779525469e-01 -3.863550779525454e-01 5.040000000000000e-15 -1.443289932012704e-15 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
Compare to other inputs