User Guide
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User Guide
Examples
Potential Databases
More
Reads various OpenKIM model properties and prints them to the standard output.
The code is available in the util/kim/kim_read_model_props folder and requires a C++17 compiler. A Makefile is provided to facilitate building the binary.
usage: kim_read_model_props [-h] model_name
Example output for the 'ex_model_Ar_P_LJ' model:
# ./kim_read_model_props ex_model_Ar_P_LJ NAME="ex_model_Ar_P_LJ" PARAMS=3 PARAM_0="cutoff"#"Double"#1#"Distance beyond which particles do not interact with one another." PARAM_1="epsilon"#"Double"#1#"Maximum depth of the potential well." PARAM_2="sigma"#"Double"#1#"Distance at which energy is zero and force is repulsive." NUM_SPECIES=1 SPECIES="Ar" INFLUENCE_DISTANCE=8.15 NEIGHBOR_LIST_COUNT=1 CUTOFFS=8.15 WRITE_MODEL=1
While most lines should be self-explanatory, the PARAM_n line contains the following information separated by the '#' sign:
If a model does not publish any parameters, the PARAMS value will be 0.
WRITE_MODEL indicates if the model supports writing a new parameter file for the model driver.