Input 01-propagators.06-aetrs.inp

Commits > Commit dd0acda4415b0ab64c529ca4a26922f9782edb94 > Run spack_foss-2023a_serial_opt

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766760e+01 -1.060686608766762e+01 1.060000000000000e-13 1.776356839400250e-14 PASS
Energy [step 20] -1.060637353666413e+01 -1.060637353666412e+01 1.060000000000000e-13 -8.881784197001252e-15 PASS
Multipoles [step 0] -7.776088123022037e-16 1.824331091466839e-16 4.490000000000000e-15 -9.600419214488876e-16 PASS
Multipoles [step 20] -1.265509663990622e-01 -1.265509663990613e-01 2.080000000000000e-15 -9.436895709313831e-16 PASS
Forces [step 0] 8.537673799433554e-02 8.537673799433354e-02 5.130000000000000e-15 1.998401444325282e-15 PASS
Forces [step 20] 7.966840852244594e-02 7.966840852244794e-02 4.150000000000000e-15 -1.998401444325282e-15 PASS
Compare to other inputs