Input 32-tdpcm_methane.02-td_prop_neq.inp
Commits >
Commit 3c86545dbb6a164adc7b03c9886fea0d0acfc59e >
Run GCI_intel_mpi_autotools: [intel2023a-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625146814e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | -5.981905915814108e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508530737265386e-02 | -1.502584992053000e-02 | 1.000000000000000e-04 | -5.945745212385806e-05 | PASS |