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Perform a few fixes for gromacs variant

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Signed-off-by: Rafael Ravedutti <rafaelravedutti@gmail.com>
This commit is contained in:
Rafael Ravedutti
2022-01-31 17:49:22 +01:00
parent 6691803910
commit e0e6b6a68c
6 changed files with 158 additions and 64 deletions
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gromacs/includes/pbc.h
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@@ -26,7 +26,7 @@
#ifndef __PBC_H_
#define __PBC_H_
extern void initPbc();
extern void updatePbc(Atom*, Parameter*);
extern void updatePbc(Atom*, Parameter*, int);
extern void updateAtomsPbc(Atom*, Parameter*);
extern void setupPbc(Atom*, Parameter*);
#endif