open source force-matching https://www.potfit.net/wiki/ Wed, 29 Apr 2026 15:41:49 +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=potfiles:format0&rev=1617044899 Potential File Format 0 ---------- Format specification The potential format 0 is used for analytical potentials exclusively. All header tokens are supported except for the #G line. Each analytic potential function has to be specified as follows:$\Psi$$$V_{SC}(r)=\Psi\left(\frac{r-r_c}{h}\right)V(r)\qquad\text{where}\qquad\Psi(x)=\frac{x^4}{1+x^4}$$ anonymous@undisclosed.example.com (Anonymous) Mon, 29 Mar 2021 19:08:19 +0000 https://www.potfit.net/wiki/doku.php?id=potfiles:format3&rev=1598982011 Potential File Format 3 ---------- Format specification The potential formats 3 and 4 are used for tabulated potentials. Format 3 implicitly assumes equidistant sampling points for the potential function tables and supports all header lines. Potential files using format 3 need to specify one distance block at the beginning and then one potential table for each potential function.$r=2.5$$r=7$$10$$\Delta r = 0.5$$((7-2.5) / (10 - 1) = 0.5$$r = 2.5 + n \cdot 0.5, n = 0, \ldots, 9$$10^{30}$ anonymous@undisclosed.example.com (Anonymous) Tue, 01 Sep 2020 17:40:11 +0000 https://www.potfit.net/wiki/doku.php?id=potfiles:format4&rev=1602492643 Potential File Format 4 ---------- Format specification The potential formats 3 and 4 are used for tabulated potentials. Format 4 allows arbitrary sampling points for the potential function tables and supports all header lines. As with potential files in format 3 each data column has its own spacing. But with potential format 4 the requirement that the sampling points be equidistant is dropped. Arbitrarily spaced sampling points are possible, but the sampling points have to be given in as… anonymous@undisclosed.example.com (Anonymous) Mon, 12 Oct 2020 08:50:43 +0000 https://www.potfit.net/wiki/doku.php?id=potfiles:format5&rev=1551283908 Potential File Format 5 ---------- Introduction Since OpenKIM itself is not a common interaction but a library for all kinds of interatomic models the way potfit behaves when OpenKIM support is enabled is a little bit different than with the regular interactions. Before being able to use OpenKIM interactions with anonymous@undisclosed.example.com (Anonymous) Wed, 27 Feb 2019 16:11:48 +0000 https://www.potfit.net/wiki/doku.php?id=potfiles:main&rev=1537802950 Potential files ---------- The interactions supported by potfit are defined in terms of tabulated functions, given by analytic parameters or with the KIM model name. Typical functions are central pair potentials, which depend on the distance of two atoms and the two atom types involved. Support for three-body potential has been added to $n*(n+1) / 2$ anonymous@undisclosed.example.com (Anonymous) Mon, 24 Sep 2018 15:29:10 +0000 https://www.potfit.net/wiki/doku.php?id=potfiles:sidebar&rev=1550911562 Main page ---------- Download Publications Contact About potfit User Guide * Compiling potfit * Options * Running potfit * Parameters * Configuration files * Potential models * Potential files * Format 0 (apot) * Format 3 (eq-tab) * Format 4 (var-tab) * Format 5 (kim) * Interactions * Algorithms * Output * Units * Utilities * Limitations Examples * Configurations * Potentials * Parameter files * Advanced Examples * Tutorials Potential Da… anonymous@undisclosed.example.com (Anonymous) Sat, 23 Feb 2019 08:46:02 +0000