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root/freemol/trunk/src/mengine/src/initiali.c
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# Line 120 | Line 120
120   /* ============================================== */      
121   void reset_atom_data(void)
122   {
123        int i, j;
123  
125    for (i = 0; i < MAXATOM; i++)
126    {
127        atom.use[i] = 0;
128        atom.x[i] = 0.0F; atom.y[i] = 0.0F; atom.z[i] = 0.0F;
129        atom.charge[i] = 0.0F;
130        atom.atomnum[i] = 0;
131        atom.formal_charge[i] = 0;
132        atom.atomwt[i] = 0.0;
133        atom.type[i] = 0;
134        atom.mmx_type[i] = 0;
135        atom.mm3_type[i] = 0;
136        atom.mmff_type[i] = 0;
137        atom.tclass[i] = 0;
138        *atom.name[i] = '\0';
139        atom.flags[i] = 0;
140        for (j = 0; j < MAXIAT; j++)
141        {
142           atom.bo[i][j] = 0;
143           atom.iat[i][j] = 0;
144        }
145     }
124   }

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