MD-Bench/gromacs/includes/utils.h
2023-05-09 00:44:37 +02:00

20 lines
444 B
C

/*
* Temporal functions for debugging, remove before proceeding with pull request
*/
#ifndef MD_BENCH_UTILS_H
#define MD_BENCH_UTILS_H
#include <atom.h>
#include <neighbor.h>
#ifdef USE_SUPER_CLUSTERS
void verifyClusters(Atom *atom);
void verifyLayout(Atom *atom);
void checkAlignment(Atom *atom);
void showSuperclusters(Atom *atom);
void printNeighs(Atom *atom, Neighbor *neighbor);
#endif //USE_SUPER_CLUSTERS
#endif //MD_BENCH_UTILS_H