Input 32-tdpcm_methane.02-td_prop_neq.inp
Commits >
Commit 9972eae3cc35bad71f44bb929051f5e204f853a2 >
Run foss-cmake-zen4: [foss2023a-mpi, foss-full-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625161315e-02 | -1.495587719231000e-02 | 1.000000000000000e-04 | -5.981905930315355e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508530737265386e-02 | -1.502584992053000e-02 | 1.000000000000000e-04 | -5.945745212385806e-05 | PASS |