pyscf+pbc+intor

2025-03-26 14:44:27

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pyscf/setup.py at master · y-yao/pyscf · GitHub

np_helper']), make_ext('pyscf.liblibpbc', 'pbc', 'ft_ao.c optimizer.c _ints.c grid_ao.c', ['cgto', 'cint']), make_ext('pyscf.liblibmbd', os.path.join('extras, 'mbd'), 'dipolec', []), make_ext('pyscf.lib.libdft', 'dft', '''CxLebedev...
pyscf/setup.py at master · nush-1qb/pyscf · GitHub

libpbc', 'pbc', 'ft_ao.c fill_ints.c _ao.c', ['cgto', 'cint']), make_ext('pyscf.lib.libmbd', ospath.join('extras', 'mbd') 'dipole.c', []) make_ext('pyscf.lib.libdft', 'dft', 'CxLebedevGrid.c gridbasis.c nr_numint.c r_numint...
pyscf/setup.py at master · matt-chan/pyscf · GitHub

np_helper']), make_ext('pyscf.liblibpbc', 'pbc', 'ft_ao.c optimizer.c _ints.c grid_ao.c', ['cgto', 'cint']), make_ext('pyscf.liblibmbd', os.path.join('extras, 'mbd'), 'dipolec', []), make_ext('pyscf.lib.libdft', 'dft', '''CxLebedev...
pyscf/setup.py at master · Enhydra-xun/pyscf · GitHub

libpbc', 'pbc', 'ft_ao.c fill_ints.c _ao.c', ['cgto', 'cint']), make_ext('pyscf.lib.libmbd', ospath.join('extras', 'mbd') 'dipole.c', []) make_ext('pyscf.lib.libdft', 'dft', 'CxLebedevGrid.c gridbasis.c nr_numint.c r_numint...