| ENSEMBLE | |
| ENSEMBLE NVT | |
| md ensemble for KG-POL coefficients | |
| This optional keyword expects a keyword. Default value: NVT | |
| valid keywords: NVE, NVT | |
| TEMPERATURE | |
| temperature 1.0 | |
| Target temperature for the KG-POL coeffs | |
| This optional keyword expects a real. Default unit: [K], default value: 1.0000000000000000E+00 K | |
| MASS | |
| mass 1.0 | |
| mass of the KG-POL coeffs if storage is global | |
| This optional keyword expects a real. Default unit: [m_e], default value: 1.0000000000000000E+00 m_e |