Input 32-tdpcm_methane.03-td_prop_eom.inp
Commits >
Commit 968a3ff7080ffa1f89f08d37efc7416527769dec >
Run foss_cuda_autotools: [foss2022a-cuda-mpi]
Matches
| Name | Value | Reference | Precision | Difference | Status |
| M-solvent int. energy @ t=0 | -1.501569625151648e-02 | -1.495587625573000e-02 | 1.000000000000000e-04 | -5.981999578648020e-05 | PASS |
| M-solvent int. energy @ t=21*dt | -1.508533060263159e-02 | -1.502587164251000e-02 | 1.000000000000000e-04 | -5.945896012159342e-05 | PASS |