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mrh

GPL research code of Matthew R. Hermes

INSTALLATION:

  • cd /path/to/mrh/lib
  • mkdir build ; cd build
  • cmake ..
  • make
  • Add /path/to/mrh to Python's search path somehow. Examples:
    • "sys.path.append ('/path/to')" in Python script files
    • "export PYTHONPATH=/path/to:$PYTHONPATH" in the shell
    • "ln -s /path/to/mrh /path/to/python/site-packages/mrh" in the shell

DEPENDENCIES:

  • PySCF
  • Python 3

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MRH's research code

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LICENSE
GPL-2.0
LICENSE.GPL-v2

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  • Python 96.6%
  • C 2.3%
  • Other 1.1%