SC 4.0

C++ code for Monte Carlo simulations of patchy spherocylinders

Compiling

in scOOP/ directory:

$ module add cmake
$ cmake .
$ make -j number_of_cores

executable SC will be created.

Parallel tempering or Multiple Walker Wang-Landau: Enable MPI, compile with:

$ module add mpich
$ cmake . -DENABLE_MPI=ON -DENABLE_OPENMP=OFF
$ make -j number_of_cores
$ mpirun -np number_of_threads SC

Generating documentation:

$ doxygen

Testing:

$ cd Tests/
$ ./test
$ cd Interactions_tests/
$ ./test.sh

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Extensive pair interaction comparisons to past versions (namely SC version used in doi 10.1063/1.4933229)

Comprehensive tests: folders : SC_PSC_MEMBRANE_WANG and System_averages_tests

Use scripts/movie-scripts/python 2.x/sc35-movie.py for vmd openable movie Use scripts/movie-scripts/python 2.x/sc35-movie.py -g 1 for grandCanonical

NOTE: to submit a job with grandCanonically active species use runGrand