Input 30-local_multipoles.03-multipoles_restart.inp
Commits >
Commit 4e4258e65e606bf002e3af34a10a78b31d6cc70d >
Run foss-cmake-zen4: [foss2023a-serial, foss-min]
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 | 4.268872115090715e+00 | 4.268872115090712e+00 | 4.270000000000000e-14 | 2.664535259100376e-15 | PASS |
| C Multipole x | -8.415712652548631e-17 | 0.000000000000000e+00 | 1.000000000000000e-13 | -8.415712652548631e-17 | PASS |
| C Multipole y | 4.780357679917122e-16 | 0.000000000000000e+00 | 1.000000000000000e-13 | 4.780357679917122e-16 | PASS |
| C Multipole z | -3.865911317784346e-16 | 0.000000000000000e+00 | 1.000000000000000e-13 | -3.865911317784346e-16 | PASS |
| H1 Electrons | 1.853378781759891e+00 | 1.853378781759888e+00 | 1.850000000000000e-14 | 3.552713678800501e-15 | PASS |
| H1 Multipole x | 3.942026147098419e-01 | 3.942026147098400e-01 | 1.970000000000000e-14 | 1.831867990631508e-15 | PASS |
| H1 Multipole y | 3.942026147098417e-01 | 3.942026147098420e-01 | 3.940000000000000e-15 | -3.330669073875470e-16 | PASS |
| H1 Multipole z | 3.942026147098417e-01 | 3.942026147098409e-01 | 3.940000000000000e-15 | 7.771561172376096e-16 | PASS |
| H2 Electrons | 1.853378781759890e+00 | 1.853378781759887e+00 | 1.850000000000000e-14 | 3.108624468950438e-15 | PASS |
| H2 Multipole x | -3.942026147098402e-01 | -3.942026147098388e-01 | 4.000000000000000e-15 | -1.387778780781446e-15 | PASS |
| H2 Multipole y | -3.942026147098405e-01 | -3.942026147098386e-01 | 3.940000000000000e-15 | -1.942890293094024e-15 | PASS |
| H2 Multipole z | 3.942026147098403e-01 | 3.942026147098392e-01 | 3.940000000000000e-15 | 1.110223024625157e-15 | PASS |
| H3 Electrons | 8.373546248914618e-01 | 8.373546248914600e-01 | 4.190000000000000e-14 | 1.887379141862766e-15 | PASS |
| H3 Multipole x | 9.318561053244770e-02 | 9.318561053244732e-02 | 1.180000000000000e-15 | 3.747002708109903e-16 | PASS |
| H3 Multipole y | -9.318561053244770e-02 | -9.318561053244724e-02 | 4.660000000000000e-15 | -4.579669976578771e-16 | PASS |
| H3 Multipole z | -9.318561053244757e-02 | -9.318561053244750e-02 | 9.320000000000000e-16 | -6.938893903907228e-17 | PASS |
| H4 Electrons | 7.458234688609169e-01 | 7.458234688609147e-01 | 7.460000000000001e-15 | 2.220446049250313e-15 | PASS |
| H4 Multipole x | -7.825282446882431e-02 | -7.825282446882423e-02 | 8.780000000000000e-16 | -8.326672684688674e-17 | PASS |
| H4 Multipole y | 6.902547572312513e-02 | 6.902547572312534e-02 | 6.900000000000000e-16 | -2.081668171172169e-16 | PASS |
| H4 Multipole z | -6.902547572312513e-02 | -6.902547572312492e-02 | 6.900000000000000e-16 | -2.081668171172169e-16 | PASS |
| H2-4 Electrons | 5.309982578973448e+00 | 5.309982578973448e+00 | 5.310000000000000e-14 | 8.881784197001252e-16 | PASS |
| H2-4 Multipole x | -3.863550779525419e-01 | -3.863550779525434e-01 | 4.580000000000000e-15 | 1.498801083243961e-15 | PASS |
| H2-4 Multipole y | -3.863550779525441e-01 | -3.863550779525424e-01 | 3.970000000000000e-15 | -1.720845688168993e-15 | PASS |
| H2-4 Multipole z | -3.863550779525452e-01 | -3.863550779525454e-01 | 5.040000000000000e-15 | 2.220446049250313e-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 |