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

Commits > Commit d6f4833c99197407842d58e82c91c418d3d73b88 > Run spack_foss-2022a_mpi

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772409e+02 -3.184210032772400e+02 1.590000000000000e-10 -8.526512829121202e-13 PASS
Energy [step 20] -3.184088237669048e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.355982572538778e-11 PASS
Multipoles [step 0] -1.208106964388819e-03 -1.211520628226222e-03 5.140000000000000e-06 3.413663837402653e-06 PASS
Multipoles [step 20] -2.020313719882536e+00 -2.020315146839614e+00 5.140000000000000e-06 1.426957078720648e-06 PASS
Compare to other inputs