Input 05-time_propagation.05-td_md.inp

Commits > Commit ad9fcbdd35c8d08e16e213263c476bba0afb770b > Run spack_foss-2023a_mpi_omp

Matches

Name	Value	Reference	Precision	Difference	Status
Energy [step 1]	-3.791009280177393e+01	-3.791009280177000e+01	1.900000000000000e-10	-3.929301328753354e-12	PASS
Energy [step 5]	-3.791008856892503e+01	-3.791008856893000e+01	1.900000000000000e-10	4.966693722963100e-12	PASS
Energy [step 10]	-3.791001520298096e+01	-3.791001520298000e+01	1.900000000000000e-10	-9.592326932761353e-13	PASS

Compare to other inputs