Input 32-tdpcm_methane.03-td_prop_eom.inp

Commits > Commit 0a2b0bf36feedeffb58bf70ad5882092a0f43b8a > Run foss-cmake-zen4: [foss2023a-mpi, foss-min-mpi]

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501569625166149e-02 -1.495587625573000e-02 1.000000000000000e-04 -5.981999593149094e-05 PASS
M-solvent int. energy @ t=21*dt -1.508533060263159e-02 -1.502587164251000e-02 1.000000000000000e-04 -5.945896012159342e-05 PASS
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