Input 14-fullerene_unpacked.03-td-packed.inp

Commits > Commit 119356330ffc33ec037b7259f31bc868121af1f1 > Run spack_foss-2022a_mpi_debug

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772390e+02 -3.184210032772400e+02 1.590000000000000e-10 1.023181539494544e-12 PASS
Energy [step 20] -3.184088237669090e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.776623872108757e-11 PASS
Multipoles [step 0] -1.207006820890019e-03 -1.211520628226222e-03 5.140000000000000e-06 4.513807336202708e-06 PASS
Multipoles [step 20] -2.020313242334108e+00 -2.020315146839614e+00 5.140000000000000e-06 1.904505506189480e-06 PASS
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