Setup first DEM example with input file from lecture

Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2022-07-07 02:11:50 +02:00
parent 9ffc09f497
commit 32836eebcb
6 changed files with 86 additions and 1 deletions

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@@ -49,6 +49,7 @@ extern int readAtom(Atom*, Parameter*);
extern int readAtom_pdb(Atom*, Parameter*);
extern int readAtom_gro(Atom*, Parameter*);
extern int readAtom_dmp(Atom*, Parameter*);
extern int readAtom_in(Atom*, Parameter*);
extern void growAtom(Atom*);
#ifdef AOS

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@@ -62,6 +62,7 @@ typedef struct {
MD_FLOAT k_s;
MD_FLOAT k_dn;
MD_FLOAT gx, gy, gz;
MD_FLOAT reflect_x, reflect_y, reflect_z;
} Parameter;
void initParameter(Parameter*);