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

Commits > Commit a707423db2dcfe1920cae26cacaed48d94544399 > Run foss-2022a_ppc

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -3.184210032772386e+02 -3.184210032772400e+02 1.590000000000000e-10 1.364242052659392e-12 PASS
Energy [step 20] -3.184088237669082e+02 -3.184088237668212e+02 1.590000000000000e-10 -8.697043085703626e-11 PASS
Multipoles [step 0] -1.206999593605332e-03 -1.211520628226222e-03 5.140000000000000e-06 4.521034620890091e-06 PASS
Multipoles [step 20] -2.020313239278030e+00 -2.020315146839614e+00 5.140000000000000e-06 1.907561584246764e-06 PASS
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