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

Commits > Commit d6f4833c99197407842d58e82c91c418d3d73b88 > Run spack_foss-2023a_mpi_debug

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772397e+02 -3.184210032772400e+02 1.590000000000000e-10 2.842170943040401e-13 PASS
Energy [step 20] -3.184088237669088e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.753886504564434e-11 PASS
Multipoles [step 0] -1.206960004299290e-03 -1.211520628226222e-03 5.140000000000000e-06 4.560623926931845e-06 PASS
Multipoles [step 20] -2.020313222190389e+00 -2.020315146839614e+00 5.140000000000000e-06 1.924649224882558e-06 PASS
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