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hfcxx
Hartree-Fock C++ code
GNU General Public License v3.0
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Implementing OpenMP, fixing issues #4 and #5
#7
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ifilot
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1 year ago
ifilot
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1 year ago
Implementing look-up tables for factorial and double factorials.
Fixing error in sto-6g data set
Adding OpenMP (shared memory parallelization) for evaluation of one- and two-electron integrals