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

Commits > Commit ee11de90c734467b7aebfc32d0117fe9ec1eea84 > Run spack_foss-2023a_mpi_debug

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772412e+02 -3.184210032772400e+02 1.590000000000000e-10 -1.193711796076968e-12 PASS
Energy [step 20] -3.184088237669083e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.708411769475788e-11 PASS
Multipoles [step 0] -1.207045393992343e-03 -1.211520628226222e-03 5.140000000000000e-06 4.475234233879350e-06 PASS
Multipoles [step 20] -2.020313259158320e+00 -2.020315146839614e+00 5.140000000000000e-06 1.887681293943899e-06 PASS
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