Removed malloc NPH_M parameter.

In get_theta_phi_scan, the malloc keyword was given
with NPH_M=8000. It was enough for most of calculations
but it was also impossible to change in cases where more
memory was needed. The keyword is now removed so that
it can be direclty specified by the user if needed.
The default value was increased to 8000 instead of 2000.

src/msspec/calculator.py

@@ -383,7 +383,7 @@ class _MSCALCULATOR(Calculator):
                'NODES_EX_M' : 3,
                'NSPIN_M'    : 1, # to change for spin dependent
                'NTH_M'      : 2000,
-               'NPH_M'      : 2000,
+               'NPH_M'      : 8000,
                'NDIM_M'     : 100000,
                'N_TILT_M'   : 11, # to change see extdir.f
                'N_ORD_M'    : 250,
@@ -943,7 +943,7 @@ class _PED(_MSCALCULATOR):
         """
         data = self._get_scan(scan_type='theta_phi', level=level, theta=theta,
                               phi=phi, kinetic_energy=kinetic_energy, data=data,
-                              malloc={'NPH_M': 8000}, **kwargs)
+                              **kwargs)
         return data
 
     def get_energy_scan(self, phi=0, theta=0,