2 releases
| 0.1.1 | Nov 6, 2023 |
|---|---|
| 0.1.0 | Nov 6, 2023 |
#347 in Simulation
4KB
61 lines
Small utility program to compute adiabatic energies for TD-DFT simulations with the gaussian 16 program suite
| 0.1.1 | Nov 6, 2023 |
|---|---|
| 0.1.0 | Nov 6, 2023 |
#347 in Simulation
4KB
61 lines
Small utility program to compute adiabatic energies for TD-DFT simulations with the gaussian 16 program suite