diff --git a/doc/user_other_numerical_integration.rst b/doc/user_other_numerical_integration.rst index 3db3630d..176c2509 100644 --- a/doc/user_other_numerical_integration.rst +++ b/doc/user_other_numerical_integration.rst @@ -212,11 +212,8 @@ The usage pattern is as follows: rsq = grid.points[:,0]**2 + grid.points[:,1]**2 + grid.points[:,2]**2 pot = np.sqrt(1 + rsq) - # Allocate an output array for the operator - fock = lf.create_two_index() - # Actual computation - obasis.compute_grid_density_fock(grid.points, grid.weights, pot, fock) + fock = obasis.compute_grid_density_fock(grid.points, grid.weights, pot) Other chain rules are also implemented: diff --git a/setup.py b/setup.py index 8f959579..9e68d0ac 100755 --- a/setup.py +++ b/setup.py @@ -442,7 +442,6 @@ def lib_config_magic(prefix, libname, static_config={}, known_include_dirs=[]): 'horton.gbasis', 'horton.gbasis.test', 'horton.grid', 'horton.grid.test', 'horton.io', 'horton.io.test', - 'horton.matrix', 'horton.matrix.test', 'horton.meanfield', 'horton.meanfield.test', 'horton.part', 'horton.part.test', 'horton.scripts', 'horton.scripts.test', @@ -467,7 +466,6 @@ def lib_config_magic(prefix, libname, static_config={}, known_include_dirs=[]): ('include/horton/grid', glob('horton/grid/*.h')), ('include/horton/gbasis', glob('horton/gbasis/*.h')), ('include/horton/espfit', glob('horton/espfit/*.h')), - ('include/horton/matrix', glob('horton/matrix/*.h')), ], package_data={ 'horton': ['*.pxd'],