Input 02-propagators.02-cnsparskit.inp
Commits >
Commit 23cadfdc08b3b148a9c434cb52e4be78ff32991e >
Run foss_mpi_debug_autotools: [foss2023a-mpi]
Matches
Name | Value | Reference | Precision | Difference | Status |
Forces [step 1] | 8.537673799433465e-02 | 8.537673799433354e-02 | 1.250000000000000e-14 | 1.110223024625157e-15 | PASS |
Forces [step 20] | 7.964959635257429e-02 | 7.964959635257580e-02 | 7.040000000000000e-15 | -1.512678871051776e-15 | PASS |
Energy [step 1] | -1.060686608766763e+01 | -1.060686608766762e+01 | 1.060000000000000e-13 | -7.105427357601002e-15 | PASS |
Energy [step 20] | -1.060637261154880e+01 | -1.060637261154880e+01 | 1.060000000000000e-13 | -3.552713678800501e-15 | PASS |
Multipoles [step 1] | -3.735878793820202e-17 | 1.824331091466839e-16 | 4.490000000000000e-15 | -2.197918970848859e-16 | PASS |
Multipoles [step 20] | -1.265304528942188e-01 | -1.265304528942171e-01 | 6.810000000000000e-15 | -1.665334536937735e-15 | PASS |