CONTENTS: README: this file kimspec.edn: metadata file for model driver CMakeLists.txt: cmake configuration to compile libquip.a using QUIP's build system and convert into an OpenKIM model-driver shared library QUIP_model_driver.f90: source file for all model-driver functionalituy Makefile.inc.openkim: Linux (tested on kim_dev docker and OS X with macports gcc/gfortran) libAtoms/QUIP configuration file (automatically copied into libAtoms/QUIP source dir by CMakeLists.txt) set_up_QUIP_source: script to grab latest libAtoms/QUIP (and FoX) source from github and pack into format the CMakeLists.txt expects NOTES: GAP supported automatically via "git clone --recurse-submodules" in set_up_QUIP_source INSTRUCTIONS FOR MAKING A MODEL USING THIS MODEL DRIVER: In addition to any KIM requirement such as a kimspec.edn, models require any associated files (e.g. GAP xml + sparsex files), and a parameter file usually called "QUIP_model_driver_settings". The first uploaded file must be the model-driver parameter file (e.g. "QUIP_model_driver_settings"), and the second must be the xml file. Any additional files must be uploaded after these two. The contents of the model-driver parameter file is as follows, with an example for the Lenosky Si MEAM: IP Si_MEAM 1 Si _NONE_ 2.0 0 line 1: QUIP Potential initialise() init_args line 2: number of species line 3: list of chemical symbols of species, space separated line 4: Potential calculate() calc_args (usually _NONE_ indicating none) line 5: Factor between potential cutoff and influence distance line 6: whether potential needs padding for neighbors (0 for false, 1 for true)