Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit af26893c7aa01c4d6db9b9440ccd945f9c92b2ee > Run spack_foss-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501578001388605e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.990282157604561e-05 PASS
M-solvent int. energy @ t=21*dt -1.508539158030505e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.954165977504686e-05 PASS
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