Input 02-propagators.02-cnsparskit.inp
Commits >
Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 >
Run intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| Forces [step 1] | 8.537673799433243e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | -1.110223024625157e-15 | PASS |
| Forces [step 20] | 7.964959635257385e-02 | 7.964959635257580e-02 | 7.040000000000000e-15 | -1.956768080901838e-15 | PASS |
| Energy [step 1] | -1.060686608766765e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -3.019806626980426e-14 | PASS |
| Energy [step 20] | -1.060637261154882e+01 | -1.060637261154880e+01 | 1.060000000000000e-13 | -1.421085471520200e-14 | PASS |
| Multipoles [step 1] | 3.112326680556297e-15 | 5.879834888021430e-16 | 4.510000000000000e-15 | 2.524343191754154e-15 | PASS |
| Multipoles [step 20] | -1.265304528942163e-01 | -1.265304528942195e-01 | 6.870000000000000e-15 | 3.219646771412954e-15 | PASS |