COMet

C++ code for optimising coefficients of individual CVs for PCV MD simulations.

Requires the Eigen library.

The following command is sufficient to compile it on my WSL (Ubuntu):

g++ *.cpp -O3 -std=c++14 -lstdc++fs -I/path/to/Eigen -o COMet_3

Name		Name	Last commit message	Last commit date
Latest commit History 6 Commits
LICENSE		LICENSE
README.md		README.md
auxiliary.cpp		auxiliary.cpp
auxiliary.h		auxiliary.h
error_codes.h		error_codes.h
functions.cpp		functions.cpp
functions.h		functions.h
input.cpp		input.cpp
input.h		input.h
input_data.h		input_data.h
main.cpp		main.cpp
main.h		main.h
output.cpp		output.cpp
output.h		output.h
parameters.input		parameters.input
path.cpp		path.cpp
path.h		path.h
path_eigen.cpp		path_eigen.cpp
small_tools.cpp		small_tools.cpp
small_tools.h		small_tools.h
solution.h		solution.h
testing.cpp		testing.cpp
testing.h		testing.h

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