README
1 -- Utility functions directory --
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3 * This is the directory containing functions that are used in the other
4 modules in the code.
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6 * Files:
7 - depend.py: Deals with the dependency detection, value caching and
8 automatic updating of variables.
9 - inputvalue.py: Contains the base classes used in reading the xml
10 input file, and creating the restart file.
11 - mathtools.py: Contains the algorithms used in various parts of the code.
12 - messages.py: Contains the classes to generate info and warning messages
13 to standard output during the simulation.
14 - nmtransform.py: Contains the algorithms that deal with the normal mode
15 and ring polymer contraction transformations.
16 - prng.py: Deals with random number generation.
17 - softexit: Contains the classes to deal with calls for a soft exit.
18 - units.py: Holds atomic masses, fundamental constants, and unit conversions.
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20 * Directories:
21 - io: Holds the modules that deal with reading and outputting files.
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