howto:ic-qmmm
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howto:ic-qmmm [2017/09/29 15:20] – [Print options] dgolze | howto:ic-qmmm [2017/09/29 15:21] – [Print options] dgolze | ||
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===== Print options ===== | ===== Print options ===== | ||
- | The detailed energy information and the normalized IC coefficients $q_a$ can be printed out by IMAGE_CHARGE_INFO. The normalized IC coefficients are defined as $q_a = c_a\left(\frac{\alpha}{\pi}\right)^{-\frac{3}{2}}$, | + | The detailed energy information and the normalized IC coefficients $q_a$ can be printed out by [[inp> |
<code cp2k> | <code cp2k> | ||
&QMMM | &QMMM |
howto/ic-qmmm.txt · Last modified: 2024/01/03 13:12 by oschuett