forked from lijiext/lammps
08baaa9d8e | ||
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.. | ||
io | ||
README | ||
__init__.py | ||
depend.py | ||
inputvalue.py | ||
mathtools.py | ||
messages.py | ||
nmtransform.py | ||
prng.py | ||
softexit.py | ||
units.py |
README
-- Utility functions directory -- * This is the directory containing functions that are used in the other modules in the code. * Files: - depend.py: Deals with the dependency detection, value caching and automatic updating of variables. - inputvalue.py: Contains the base classes used in reading the xml input file, and creating the restart file. - mathtools.py: Contains the algorithms used in various parts of the code. - messages.py: Contains the classes to generate info and warning messages to standard output during the simulation. - nmtransform.py: Contains the algorithms that deal with the normal mode and ring polymer contraction transformations. - prng.py: Deals with random number generation. - softexit: Contains the classes to deal with calls for a soft exit. - units.py: Holds atomic masses, fundamental constants, and unit conversions. * Directories: - io: Holds the modules that deal with reading and outputting files.