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2018-08-07 14:06:08 -04:00 |
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.clang-format
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Version working for dihedral term.
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2018-07-17 17:35:22 -04:00 |
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.clang-tidy
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Version working for dihedral term.
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2018-07-17 17:35:22 -04:00 |
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.gitignore
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Add .gitignore file to the repository.
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2018-07-17 17:40:49 -04:00 |
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CMakeLists.txt
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Implement potential energy functions in Cartesian coordinates.
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2018-08-07 14:06:08 -04:00 |
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coordinates.cpp
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Version working for dihedral term.
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2018-07-17 17:35:22 -04:00 |
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coordinates.h
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Version working for dihedral term.
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2018-07-17 17:35:22 -04:00 |
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coulomb.cpp
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Implement potential energy functions in Cartesian coordinates.
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2018-08-07 14:06:08 -04:00 |
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dihedral-metric.cpp
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First step towards generic internal/cartesian coordinate support.
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2018-08-06 17:10:08 -04:00 |
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geodesic.cpp
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Version working for dihedral term.
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2018-07-17 17:35:22 -04:00 |
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geodesic.h
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Version working for dihedral term.
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2018-07-17 17:35:22 -04:00 |
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geometry.cpp
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Version working for dihedral term.
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2018-07-17 17:35:22 -04:00 |
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geometry.h
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Version working for dihedral term.
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2018-07-17 17:35:22 -04:00 |
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geometry.py
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Version working for dihedral term.
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2018-07-17 17:35:22 -04:00 |
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integrator-cartesian.cpp
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Implement potential energy functions in Cartesian coordinates.
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2018-08-07 14:06:08 -04:00 |
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integrator-cartesian.h
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Implement potential energy functions in Cartesian coordinates.
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2018-08-07 14:06:08 -04:00 |
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integrator.cpp
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First step towards generic internal/cartesian coordinate support.
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2018-08-06 17:10:08 -04:00 |
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integrator.h
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Implement potential energy functions in Cartesian coordinates.
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2018-08-07 14:06:08 -04:00 |
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potential.cpp
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Implement potential energy functions in Cartesian coordinates.
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2018-08-07 14:06:08 -04:00 |
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potential.h
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Implement potential energy functions in Cartesian coordinates.
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2018-08-07 14:06:08 -04:00 |
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run_dihedral_experiment.py
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Parametrize coefficients of dihedral term from the command line.
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2018-07-25 13:27:40 -04:00 |
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softcore-coulomb-metric.cpp
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Implement potential energy functions in Cartesian coordinates.
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2018-08-07 14:06:08 -04:00 |
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softcore.cpp
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Implement potential energy functions in Cartesian coordinates.
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2018-08-07 14:06:08 -04:00 |
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test-coordinates.cpp
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Version working for dihedral term.
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2018-07-17 17:35:22 -04:00 |
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test-geodesic.cpp
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Version working for dihedral term.
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2018-07-17 17:35:22 -04:00 |
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test-geometry.cpp
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Version working for dihedral term.
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2018-07-17 17:35:22 -04:00 |
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test-integrator.cpp
|
First step towards generic internal/cartesian coordinate support.
|
2018-08-06 17:10:08 -04:00 |
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test-main.cpp
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Version working for dihedral term.
|
2018-07-17 17:35:22 -04:00 |
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test-potential.cpp
|
Implement potential energy functions in Cartesian coordinates.
|
2018-08-07 14:06:08 -04:00 |
