Differences

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--- start [2017/10/14 09:15] – daniel
+++ start [2019/03/06 18:49] (current) – daniel
@@ Line 8: / Line 8: @@
   * Fit empirical potentials for molecular dynamics with the force-matching algorithm
-  * Tabulated or analytic potentials are available
+  * Support for tabulated, analytic and OpenKIM potentials
   * These interactions are currently supported:
     * pair potentials
@@ Line 18: / Line 18: @@
     * Stillinger-Weber
     * Tersoff and modified Tersoff
-    * [[https://openkim.org/|OpenKIM]] models (in development)
+    * [[https://openkim.org/|OpenKIM]] models
   * Directly export the potentials to [[http://imd.itap.physik.uni-stuttgart.de|IMD]] or [[http://lammps.sandia.gov|LAMMPS]].
+===== Requirements =====
+//potfit// is provided as C source code which requires the following:
+  * a Python runtime for the //potfit// build system
+  * a C99 compliant compiler (tested with GCC, Clang, and ICC)
+  * one of the following LAPACK implementations:
+    * Intel MKL
+    * Accelerate Framework on Mac OS
+  * an MPI implementation for parallel execution (tested with OpenMPI)