Allows transposed XYZ input

[dgasmith]

The collection and orbital computation C signatures have been changed to the following:

      long int xyz_shape = 3;
      double xyz[15] = {0, 0, 0,
                        0, 0, 1,
                        0, 0, 2,
                        0, 0, 3,
                        0, 0, 4}; // xyz, xyz, ... format

      gg_collocation(0,                                // The angular momentum
                     npoints, xyz, xyz_shape,          // Grid data
                     nprim, coef, exp, center, order,  // Gaussian data
                     s_output);                        // Output

This allows many different types of packing. This is part of the v2.0 release.

[codecov-io]

Codecov Report

Merging #49 into master will increase coverage by 0.23%. The diff coverage is 100%.