open source force-matching https://www.potfit.net/wiki/ Sat, 18 Apr 2026 08:39:13 +0000 FeedCreator 1.8 https://www.potfit.net/wiki/lib/exe/fetch.php?media=wiki:logo.png https://www.potfit.net/wiki/ https://www.potfit.net/wiki/doku.php?id=options:deprecated&rev=1537371962 Deprecated Options ---------- limit "former option is now mandatory! Use limiting constraints to restrain gauge invariance of EAM potentials. An additional term is added to the sum of squares, if one of “electron densities” within one configuration lies outside the domain anonymous@undisclosed.example.com (Anonymous) Wed, 19 Sep 2018 15:46:02 +0000 https://www.potfit.net/wiki/doku.php?id=options:main&rev=1570550915 Compilation options ---------- potfit supports different options to adjust the optimization process to special needs. These options need to be specified during the configuration stage. General options Enable writing the binning distribution file anonymous@undisclosed.example.com (Anonymous) Tue, 08 Oct 2019 16:08:35 +0000 https://www.potfit.net/wiki/doku.php?id=options:sidebar&rev=1570550782 Main page ---------- Download Publications Contact About potfit User Guide * Compiling potfit * Options * Uncertainty quantification * Running potfit * Parameters * Configuration files * Potential models * Potential files * Interactions * Algorithms * Output * Units * Utilities * Limitations Examples * Configurations * Potentials * Parameter files * Advanced Examples * Tutorials Potential Databases * potfit potentials * EAM potentials (Sheng… anonymous@undisclosed.example.com (Anonymous) Tue, 08 Oct 2019 16:06:22 +0000 https://www.potfit.net/wiki/doku.php?id=options:uq&rev=1570554971 Uncertainty Quantification ---------- potfit uses the potential ensemble method to quantify the uncertainty in fitted potential parameters by generating an ensemble of candidate potentials of varying suitability sampled from around the best fit potential space.$\Theta=\{\theta_1,..., \theta_N\}$\begin{equation} \Delta\theta_{i}=\sum_{j=1}^{\rm N}\sqrt{\frac{\rm R}{{\rm{max}} (1,\lambda_{j})}}V_{ij}r_{j} \end{equation}$\lambda_j$$V_{ij}$$r_j$$T_0$$\alpha$$T=\alpha T_0$$C_T = C_0 + T = C_0 +\f… anonymous@undisclosed.example.com (Anonymous) Tue, 08 Oct 2019 17:16:11 +0000