Input 30-local_multipoles.03-multipoles_restart.inp
Commits >
Commit 693a0d35b3d26ba3cd9b2465c2841d04084addbc >
Run intel-parallel-debug: [intel2023a-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 | 4.268872115090721e+00 | 4.268872115090712e+00 | 4.270000000000000e-14 | 8.881784197001252e-15 | PASS |
C Multipole x | -3.490472436848319e-16 | 0.000000000000000e+00 | 1.000000000000000e-13 | -3.490472436848319e-16 | PASS |
C Multipole y | -6.981764209345437e-16 | 0.000000000000000e+00 | 1.000000000000000e-13 | -6.981764209345437e-16 | PASS |
C Multipole z | -1.384051761746937e-15 | 0.000000000000000e+00 | 1.000000000000000e-13 | -1.384051761746937e-15 | PASS |
H1 Electrons | 1.853378781759894e+00 | 1.853378781759888e+00 | 1.850000000000000e-14 | 6.439293542825908e-15 | PASS |
H1 Multipole x | 3.942026147098431e-01 | 3.942026147098400e-01 | 1.970000000000000e-14 | 3.108624468950438e-15 | PASS |
H1 Multipole y | 3.942026147098430e-01 | 3.942026147098392e-01 | 4.060000000000000e-15 | 3.830269434956790e-15 | PASS |
H1 Multipole z | 3.942026147098423e-01 | 3.942026147098409e-01 | 3.940000000000000e-15 | 1.387778780781446e-15 | PASS |
H2 Electrons | 1.853378781759891e+00 | 1.853378781759887e+00 | 1.850000000000000e-14 | 3.774758283725532e-15 | PASS |
H2 Multipole x | -3.942026147098419e-01 | -3.942026147098388e-01 | 4.000000000000000e-15 | -3.053113317719180e-15 | PASS |
H2 Multipole y | -3.942026147098415e-01 | -3.942026147098386e-01 | 3.940000000000000e-15 | -2.886579864025407e-15 | PASS |
H2 Multipole z | 3.942026147098414e-01 | 3.942026147098392e-01 | 3.940000000000000e-15 | 2.164934898019055e-15 | PASS |
H3 Electrons | 8.373546248914626e-01 | 8.373546248914600e-01 | 4.190000000000000e-14 | 2.664535259100376e-15 | PASS |
H3 Multipole x | 9.318561053244792e-02 | 9.318561053244732e-02 | 1.180000000000000e-15 | 5.967448757360216e-16 | PASS |
H3 Multipole y | -9.318561053244792e-02 | -9.318561053244724e-02 | 4.660000000000000e-15 | -6.800116025829084e-16 | PASS |
H3 Multipole z | -9.318561053244799e-02 | -9.318561053244750e-02 | 9.320000000000000e-16 | -4.857225732735060e-16 | PASS |
H4 Electrons | 7.458234688609172e-01 | 7.458234688609147e-01 | 7.460000000000001e-15 | 2.553512956637860e-15 | PASS |
H4 Multipole x | -7.825282446882455e-02 | -7.825282446882423e-02 | 8.780000000000000e-16 | -3.191891195797325e-16 | PASS |
H4 Multipole y | 6.902547572312524e-02 | 6.902547572312492e-02 | 7.480000000000000e-16 | 3.191891195797325e-16 | PASS |
H4 Multipole z | -6.902547572312513e-02 | -6.902547572312492e-02 | 6.900000000000000e-16 | -2.081668171172169e-16 | PASS |
H2-4 Electrons | 5.309982578973455e+00 | 5.309982578973448e+00 | 5.310000000000000e-14 | 7.105427357601002e-15 | PASS |
H2-4 Multipole x | -3.863550779525440e-01 | -3.863550779525436e-01 | 4.340000000000000e-15 | -4.440892098500626e-16 | PASS |
H2-4 Multipole y | -3.863550779525454e-01 | -3.863550779525424e-01 | 3.970000000000000e-15 | -2.997602166487923e-15 | PASS |
H2-4 Multipole z | -3.863550779525465e-01 | -3.863550779525441e-01 | 3.860000000000000e-15 | -2.386979502944087e-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 |