Input 01-casida.05-casida.inp
Commits >
Commit bb161c2d0107cec853e686df3a469ebc444968d7 >
Run foss_mpi_omp_autotools: [foss2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| 1st eps-diff E | 3.007001490000000e-01 | 3.007001490000000e-01 | 1.500000000000000e-08 | 0.000000000000000e+00 | PASS |
| 3rd eps-diff E | 3.537266430000000e-01 | 3.537266430000000e-01 | 1.770000000000000e-08 | 0.000000000000000e+00 | PASS |
| 1st eps-diff f | 9.005773420000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-08 | 9.005773420000000e-22 | PASS |
| 7th eps-diff f | 4.382706460000000e-23 | 0.000000000000000e+00 | 1.000000000000000e-08 | 4.382706460000000e-23 | PASS |
| 1st Petersilka E | 3.449651910000000e-01 | 3.449651910000000e-01 | 1.720000000000000e-08 | 0.000000000000000e+00 | PASS |
| 2nd Petersilka E | 3.449651910000000e-01 | 3.449651910000000e-01 | 1.720000000000000e-08 | 0.000000000000000e+00 | PASS |
| 3rd Petersilka E | 3.537266420000000e-01 | 3.537266420000000e-01 | 1.770000000000000e-08 | 0.000000000000000e+00 | PASS |
| 9th Petersilka E | 4.543886450000000e-01 | 4.543886450000000e-01 | 2.270000000000000e-08 | 0.000000000000000e+00 | PASS |
| 1st Petersilka f | 1.033148890000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-08 | 1.033148890000000e-21 | PASS |
| 2nd Petersilka f | 1.033151720000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-08 | 1.033151720000000e-21 | PASS |
| 7th Petersilka f | 4.964738300000000e-02 | 4.964738300000000e-02 | 2.480000000000000e-08 | 0.000000000000000e+00 | PASS |
| 9th Petersilka f | 4.974314900000000e-02 | 4.974314900000000e-02 | 2.490000000000000e-08 | 0.000000000000000e+00 | PASS |
| 1st Casida E | 3.421134150000000e-01 | 3.421134150000000e-01 | 1.710000000000000e-08 | 0.000000000000000e+00 | PASS |
| 2nd Casida E | 3.537266420000000e-01 | 3.537266420000000e-01 | 1.770000000000000e-08 | 0.000000000000000e+00 | PASS |
| 3rd Casida E | 3.738606100000000e-01 | 3.738606100000000e-01 | 1.870000000000000e-07 | 0.000000000000000e+00 | PASS |
| 1st Casida f | 9.210165919999999e-22 | 0.000000000000000e+00 | 1.000000000000000e-08 | 9.210165919999999e-22 | PASS |
| 3rd Casida f | 2.627209400000000e-30 | 0.000000000000000e+00 | 1.000000000000000e-08 | 2.627209400000000e-30 | PASS |
| 9th Casida f | 4.597211340000000e-02 | 4.597291150000000e-02 | 1.420000000000000e-06 | -7.981000000045757e-07 | PASS |
| 1st TDA E | 3.449651910000000e-01 | 3.449651910000000e-01 | 1.720000000000000e-08 | 0.000000000000000e+00 | PASS |
| 2nd TDA E | 3.537266420000000e-01 | 3.537266420000000e-01 | 1.770000000000000e-08 | 0.000000000000000e+00 | PASS |
| 3rd TDA E | 3.744336180000000e-01 | 3.744336180000000e-01 | 1.870000000000000e-08 | 0.000000000000000e+00 | PASS |
| 1st TDA f | 1.054756390000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-08 | 1.054756390000000e-21 | PASS |
| 3rd TDA f | 2.723390220000000e-30 | 0.000000000000000e+00 | 1.000000000000000e-08 | 2.723390220000000e-30 | PASS |
| 9th TDA f | 4.588065550000000e-02 | 4.588147104999999e-02 | 1.460000000000000e-06 | -8.155499999912275e-07 | PASS |
| 1st eps-diff force 1 1 | -2.484990000000000e-01 | -2.484920000000000e-01 | 1.240000000000000e-05 | -7.000000000007001e-06 | PASS |
| 1st eps-diff force 1 2 | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| 9th eps-diff force 1 1 | -1.545500000000000e-02 | -1.545000000000000e-02 | 7.730000000000000e-05 | -4.999999999999796e-06 | PASS |
| 1st Pet force 1 1 | -2.419290000000000e-01 | -2.419220000000000e-01 | 1.210000000000000e-05 | -7.000000000007001e-06 | PASS |
| 1st Pet force 1 2 | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| 9th Pet force 1 1 | -1.665320000000000e-01 | -1.665320000000000e-01 | 8.330000000000000e-06 | 0.000000000000000e+00 | PASS |
| 1st TDA force 1 1 | -2.419290000000000e-01 | -2.419220000000000e-01 | 1.210000000000000e-05 | -7.000000000007001e-06 | PASS |
| 1st TDA force 1 2 | 0.000000000000000e+00 | 0.000000000000000e+00 | 1.000000000000000e-04 | 0.000000000000000e+00 | PASS |
| 9th TDA force 1 1 | -1.664160000000000e-01 | -1.664170000000000e-01 | 8.320000000000000e-06 | 1.000000000001000e-06 | PASS |