Formatting

python/mrchem/api.py

@@ -25,16 +25,11 @@
 
 import math
 
-from .helpers import (
-    write_scf_fock,
-    write_scf_guess,
-    write_scf_solver,
-    write_scf_properties,
-    write_scf_plot,
-    write_rsp_calc,
-    parse_wf_method,
-)
-from .periodictable import PeriodicTable as PT, PeriodicTableByZ as PT_Z
+from .helpers import (parse_wf_method, write_rsp_calc, write_scf_fock,
+                      write_scf_guess, write_scf_plot, write_scf_properties,
+                      write_scf_solver)
+from .periodictable import PeriodicTable as PT
+from .periodictable import PeriodicTableByZ as PT_Z
 from .validators import MoleculeValidator
 
 
@@ -127,7 +122,7 @@ def write_molecule(user_dict, origin):
         "charge": mol.charge,
         "coords": mol.get_coords_in_program_syntax(),
     }
-    
+
     if "pcm" in user_dict["WaveFunction"]["environment"].lower():
         mol_dict["cavity"] = {
             "spheres": mol.get_cavity_in_program_syntax(),

src/qmoperators/two_electron/ReactionPotential.h

@@ -25,8 +25,8 @@
 
 #pragma once
 
-#include "qmoperators/QMPotential.h"
 #include "environment/GPESolver.h"
+#include "qmoperators/QMPotential.h"
 
 namespace mrchem {
 /** @class ReactionPotential
@@ -56,7 +56,7 @@ class ReactionPotential : public QMPotential {
     friend class ReactionOperator;
 
 protected:
-    std::unique_ptr<GPESolver> solver;          //!< A GPESolver instance used to compute the ReactionPotential.
+    std::unique_ptr<GPESolver> solver;       //!< A GPESolver instance used to compute the ReactionPotential.
     std::shared_ptr<OrbitalVector> orbitals; ///< Unperturbed orbitals defining the ground-state electron density for the SCRF procedure.
 
     void setup(double prec) override;