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root/freemol/trunk/src/mengine/src/get_mem.c
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# Line 25 | Line 25
25      } solvent;
26  
27   // =======================================
28 < /*void get_molecule_memory(int niatom)
28 > void get_molecule_memory(int niatom)
29   {
30    int i,j;
31  
# Line 47 | Line 47
47    atom.sigma_charge = dvector(0,niatom+10);
48    atom.atomwt = dvector(0,niatom+10);
49    atom.radius = dvector(0,niatom+10);
50 <
50 >  atom.name = malloc( (niatom+10)*sizeof(LABEL));
51  
52    for (i=0; i <= niatom; i++)
53      {
# Line 71 | Line 71
71            atom.iat[i][j] = 0;
72            atom.bo[i][j] = 0;
73          }
74 +      strcpy(atom.name[i],"");
75      }
76  
77 < }*/
77 > }
78   /* ================================================================ */
79   void get_memory()
80   {

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