Setup first DEM example with input file from lecture
Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
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@@ -49,6 +49,7 @@ extern int readAtom(Atom*, Parameter*);
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extern int readAtom_pdb(Atom*, Parameter*);
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extern int readAtom_gro(Atom*, Parameter*);
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extern int readAtom_dmp(Atom*, Parameter*);
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extern int readAtom_in(Atom*, Parameter*);
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extern void growAtom(Atom*);
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#ifdef AOS
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@@ -62,6 +62,7 @@ typedef struct {
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MD_FLOAT k_s;
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MD_FLOAT k_dn;
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MD_FLOAT gx, gy, gz;
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MD_FLOAT reflect_x, reflect_y, reflect_z;
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} Parameter;
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void initParameter(Parameter*);
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