Input 06-caetrs.02-kick.inp
Commits >
Commit b7dcc99023940be2b83de00317ffa33e598f3f55 >
Run intel_autotools: [intel2023a-serial]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Energy [step 1] | -1.056293727506791e+01 | -1.056293727506791e+01 | 1.060000000000000e-13 | -1.776356839400250e-15 | PASS |
| Energy [step 5] | -1.040745483159457e+01 | -1.040745483159455e+01 | 1.040000000000000e-13 | -1.953992523340276e-14 | PASS |
| Energy [step 10] | -1.040743417507012e+01 | -1.040743417507012e+01 | 1.040000000000000e-13 | 0.000000000000000e+00 | PASS |
| Energy [step 15] | -1.040742113639586e+01 | -1.040742113639586e+01 | 1.040000000000000e-13 | -5.329070518200751e-15 | PASS |
| Energy [step 20] | -1.040741451973633e+01 | -1.040741451973633e+01 | 1.040000000000000e-13 | 3.552713678800501e-15 | PASS |
| Dipole [step 1] | 1.070244235032089e-15 | 1.780638116610150e-16 | 6.600000000000000e-15 | 8.921804233710740e-16 | PASS |
| Dipole [step 5] | -7.295426719525280e-01 | -7.295426719525250e-01 | 3.650000000000000e-14 | -2.997602166487923e-15 | PASS |
| Dipole [step 10] | -1.337803863058582e+00 | -1.337803863058600e+00 | 1.970000000000000e-14 | 1.820765760385257e-14 | PASS |
| Dipole [step 15] | -1.828601499014713e+00 | -1.828601499014715e+00 | 1.830000000000000e-14 | 2.442490654175344e-15 | PASS |
| Dipole [step 20] | -2.205209055720851e+00 | -2.205209055720854e+00 | 2.210000000000000e-14 | 3.108624468950438e-15 | PASS |