Input 14-fullerene_unpacked.02-td-unpacked.inp

Commits > Commit c7ac96946c926bee5c46ca4221093c1f60753f5a > Run spack_foss-2022a_cuda_mpi_omp

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772401e+02 -3.184210032771824e+02 9.690000000000000e-11 -5.769607014372014e-11 PASS
Energy [step 20] -3.184088237669081e+02 -3.184088237668212e+02 1.100000000000000e-10 -8.685674401931465e-11 PASS
Multipoles [step 0] -1.207025939647596e-03 -1.211520628226222e-03 5.140000000000000e-06 4.494688578625611e-06 PASS
Multipoles [step 20] -2.020313250664317e+00 -2.020315146839614e+00 5.140000000000000e-06 1.896175297222413e-06 PASS
Compare to other inputs