Input 06-caetrs.02-kick.inp
Commits >
Commit c9606f298ccf4e57d14167459d26815f7508aa3e >
Run foss_cmake: [foss2022a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.056293727506792e+01 | -1.056293727506791e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
| Energy [step 5] | -1.040745483159454e+01 | -1.040745483159455e+01 | 1.040000000000000e-13 | 7.105427357601002e-15 | PASS |
| Energy [step 10] | -1.040743417507013e+01 | -1.040743417507012e+01 | 1.040000000000000e-13 | -8.881784197001252e-15 | PASS |
| Energy [step 15] | -1.040742113639586e+01 | -1.040742113639586e+01 | 1.040000000000000e-13 | 3.552713678800501e-15 | PASS |
| Energy [step 20] | -1.040741451973633e+01 | -1.040741451973633e+01 | 1.040000000000000e-13 | 3.552713678800501e-15 | PASS |
| Dipole [step 1] | -3.301531140489922e-16 | 1.780638116610150e-16 | 6.600000000000000e-15 | -5.082169257100071e-16 | PASS |
| Dipole [step 5] | -7.295426719525300e-01 | -7.295426719525250e-01 | 3.650000000000000e-14 | -4.996003610813204e-15 | PASS |
| Dipole [step 10] | -1.337803863058588e+00 | -1.337803863058600e+00 | 1.970000000000000e-14 | 1.176836406102666e-14 | PASS |
| Dipole [step 15] | -1.828601499014710e+00 | -1.828601499014715e+00 | 1.830000000000000e-14 | 5.107025913275720e-15 | PASS |
| Dipole [step 20] | -2.205209055720837e+00 | -2.205209055720854e+00 | 2.210000000000000e-14 | 1.687538997430238e-14 | PASS |