Input 32-tdpcm_methane.02-td_prop_neq.inp

Commits > Commit f1dbe11076ccb3bb542605fe66566061d8720041 > Run spack_intel-2023a_serial_omp

Matches

Name Value Reference Precision Difference Status
M-solvent int. energy @ t=0 -1.501578001366853e-02 -1.495587719231000e-02 1.000000000000000e-04 -5.990282135852863e-05 PASS
M-solvent int. energy @ t=21*dt -1.508539158016004e-02 -1.502584992053000e-02 1.000000000000000e-04 -5.954165963003612e-05 PASS
Compare to other inputs