@@ -16,7 +16,7 @@ class Atom_input
1616 const UnitCell &ucell,
1717 const int amount = 0 , // number of atoms
1818 const int ntype = 0 , // number of atom_types
19- const bool boundary = 1 , // 1 : periodic ocndition
19+ const bool boundary = true , // 1 : periodic ocndition
2020 const double radius_in = 0 , // searching radius
2121 const int &test_atom_in = 0 // caoyu reconst 2021-05-24
2222 );
@@ -31,92 +31,99 @@ class Atom_input
3131 double vec3[3 ];
3232
3333public:
34- bool getExpandFlag (void )const {return expand_flag;}
34+ bool getExpandFlag ()const {return expand_flag;}
3535
3636 int getAmount () const
3737 {
38- if (!expand_flag) return d_amount;
39- else return d_amount_expand;
38+ if (!expand_flag) { return d_amount;
39+ } else { return d_amount_expand;
40+ }
4041 }
4142
4243 int getBoundary ()const { return periodic_boundary;}
4344
44- double getLatNow (void ) const { return lat_now;}
45+ double getLatNow () const { return lat_now;}
4546
4647 double getRadius () const {return radius;}
4748
4849// ==========================================================
4950//
5051// ==========================================================
51- double getCellXLength (void ) const
52+ double getCellXLength () const
5253 {
53- if (!expand_flag) return radius;
54- else return 1 ;
54+ if (!expand_flag) { return radius;
55+ } else { return 1 ;
56+ }
5557 }
5658
57- double getCellYLength (void ) const
59+ double getCellYLength () const
5860 {
59- if (!expand_flag) return radius;
60- else return 1 ;
61+ if (!expand_flag) { return radius;
62+ } else { return 1 ;
63+ }
6164 }
6265
63- double getCellZLength (void ) const
66+ double getCellZLength () const
6467 {
65- if (!expand_flag) return radius;
66- else return 1 ;
68+ if (!expand_flag) { return radius;
69+ } else { return 1 ;
70+ }
6771 }
6872
6973// ==========================================================
7074//
7175// ==========================================================
72- double Clength0 (void ) const { return (glayerX + glayerX_minus) * clength0;}
73- double Clength1 (void ) const { return (glayerY + glayerY_minus) * clength1;}
74- double Clength2 (void ) const { return (glayerZ + glayerZ_minus) * clength2;}
76+ double Clength0 () const { return (glayerX + glayerX_minus) * clength0;}
77+ double Clength1 () const { return (glayerY + glayerY_minus) * clength1;}
78+ double Clength2 () const { return (glayerZ + glayerZ_minus) * clength2;}
7579
7680// ==========================================================
7781//
7882// ==========================================================
79- double minX (void ) const
83+ double minX () const
8084 {
81- if (!expand_flag) return x_min;
82- else return (double )(-glayerX_minus);
85+ if (!expand_flag) { return x_min;
86+ } else { return (double )(-glayerX_minus);
87+ }
8388 }
8489
85- double minY (void ) const
90+ double minY () const
8691 {
87- if (!expand_flag) return y_min;
88- else return (double )(-glayerY_minus);
92+ if (!expand_flag) { return y_min;
93+ } else { return (double )(-glayerY_minus);
94+ }
8995 }
9096
91- double minZ (void ) const
97+ double minZ () const
9298 {
93- if (!expand_flag) return z_min;
94- else return (double )(-glayerZ_minus);
99+ if (!expand_flag) { return z_min;
100+ } else { return (double )(-glayerZ_minus);
101+ }
95102 }
96103
97104// ==========================================================
98105//
99106// ==========================================================
100- int getCellX (void ) const { return cell_nx; }
107+ int getCellX () const { return cell_nx; }
101108
102- int getCellY (void ) const { return cell_ny; }
109+ int getCellY () const { return cell_ny; }
103110
104- int getCellZ (void ) const { return cell_nz; }
111+ int getCellZ () const { return cell_nz; }
105112
106113// ==========================================================
107114//
108115// ==========================================================
109- int getGrid_layerX (void ) const { return glayerX;}
116+ int getGrid_layerX () const { return glayerX;}
110117
111- int getGrid_layerX_minus (void ) const { return glayerX_minus;}
118+ int getGrid_layerX_minus () const { return glayerX_minus;}
112119
113- int getGrid_layerY (void ) const { return glayerY;}
120+ int getGrid_layerY () const { return glayerY;}
114121
115- int getGrid_layerY_minus (void ) const { return glayerY_minus;}
122+ int getGrid_layerY_minus () const { return glayerY_minus;}
116123
117- int getGrid_layerZ (void ) const { return glayerZ;}
124+ int getGrid_layerZ () const { return glayerZ;}
118125
119- int getGrid_layerZ_minus (void ) const { return glayerZ_minus;}
126+ int getGrid_layerZ_minus () const { return glayerZ_minus;}
120127
121128 FAtom getFakeAtom (const int index) const { return fake_atoms[index];}
122129
@@ -169,7 +176,7 @@ class Atom_input
169176// MEMBRE FUNCTION :
170177// NAME : Expand_Grid
171178// ==========================================================
172- void calculate_cells (void );
179+ void calculate_cells ();
173180 int cell_nx;
174181 int cell_ny;
175182 int cell_nz;
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