Rename math to mathutils (issue #23)

qstack/__init__.py

@@ -7,5 +7,5 @@
 from qstack import basis_opt
 from qstack import spahm
 from qstack import regression
-from qstack import math
+from qstack import mathutils
 from qstack import orcaio

qstack/orcaio.py

@@ -1,5 +1,5 @@
 import numpy as np
-from qstack.math.matrix import from_tril
+from qstack.mathutils.matrix import from_tril
 from qstack.tools import reorder_ao
 
 def read_density(mol, basename, directory='./', version=500, openshell=False, reorder_dest='pyscf'):

qstack/regression/hyperparameters.py

@@ -6,7 +6,7 @@
 from sklearn.model_selection import train_test_split, KFold
 from qstack.regression.kernel_utils import get_kernel, defaults, ParseKwargs
 from qstack.tools import correct_num_threads
-from qstack.math.fps import do_fps
+from qstack.mathutils.fps import do_fps
 
 def hyperparameters(X, y,
            sigma=defaults.sigmaarr, eta=defaults.etaarr, gkernel=defaults.gkernel, gdict=defaults.gdict,

qstack/regression/regression.py

@@ -5,7 +5,7 @@
 from sklearn.model_selection import train_test_split
 from qstack.regression.kernel_utils import get_kernel, defaults, ParseKwargs
 from qstack.tools import correct_num_threads
-from qstack.math.fps import do_fps
+from qstack.mathutils.fps import do_fps
 
 
 def regression(X, y, read_kernel=False, sigma=defaults.sigma, eta=defaults.eta,

qstack/spahm/rho/sym.py

@@ -3,7 +3,7 @@
 import numpy as np
 from pyscf import gto, data
 from qstack import compound
-from qstack.math.matrix import sqrtm
+from qstack.mathutils.matrix import sqrtm
 
 
 def idxl0(i, l, ao):

tests/test_reorder.py

@@ -4,7 +4,7 @@
 import numpy as np
 from qstack import compound, tools
 from qstack.fields.decomposition import decompose
-from qstack.math.matrix import from_tril
+from qstack.mathutils.matrix import from_tril
 
 
 def test_reorder_pyscf_gpr():