bwang2453/nwchem_csx
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This code is meant to faciliate interaction with nwchem runtime database file including pythin bindings. To build on Mac: make -f makefile.mac To build on Linux: make -f makefile.linux In both cases python module nwchem will be built automatically but in the local directory. Other python installation scenarious can be handled by using setup.py file Python bindings can be tested by running python test.py Marat Valiev Wed Jun 3 18:16:36 PDT 2015
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