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Long-timescale dynamics: aKMC, NEB, parallel replica
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Water Directory Reference
Files
ccl.cpp
Potential
CCL Table II for intramolecular interactions in water.
potential_base.cpp
Basic tools to write potentials.
spce_ccl.cpp
SPC/E potential for water.
tip4p_ccl.cpp
TIP4P potential for water.
Water.cpp
client
potentials
Water
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