Input 01-casida.05-casida.inp
Commits >
Commit ab5faecb27d88076e64ba8608dc3fc5641398a04 >
Run foss_cmake: [foss2023a-mpi, foss-full-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 | 8.999360640000000e-22 | 0.000000000000000e+00 | 1.000000000000000e-08 | 8.999360640000000e-22 | PASS |
| 7th eps-diff f | 4.379383170000000e-23 | 0.000000000000000e+00 | 1.000000000000000e-08 | 4.379383170000000e-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 | 1.032413180000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-08 | 1.032413180000000e-21 | PASS |
| 2nd Petersilka f | 1.032449120000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-08 | 1.032449120000000e-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 | 9.203645080000001e-22 | 0.000000000000000e+00 | 1.000000000000000e-08 | 9.203645080000001e-22 | PASS |
| 3rd Casida f | 4.582481610000000e-30 | 0.000000000000000e+00 | 1.000000000000000e-08 | 4.582481610000000e-30 | PASS |
| 9th Casida f | 4.597377650000000e-02 | 4.597291150000000e-02 | 1.420000000000000e-06 | 8.649999999957303e-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 | 1.054016510000000e-21 | 0.000000000000000e+00 | 1.000000000000000e-08 | 1.054016510000000e-21 | PASS |
| 3rd TDA f | 3.475923790000000e-30 | 0.000000000000000e+00 | 1.000000000000000e-08 | 3.475923790000000e-30 | PASS |
| 9th TDA f | 4.588235500000000e-02 | 4.588147104999999e-02 | 1.460000000000000e-06 | 8.839500000093481e-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 |