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add extract() function to angle_charmm.h

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Evangelos Voyiatzis
2024-09-20 19:16:55 +02:00
committed by GitHub
parent 805c2ae131
commit cc24f3d240
1 changed files with 1 additions and 0 deletions
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src/MOLECULE/angle_charmm.h
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@ -35,6 +35,7 @@ class AngleCharmm : public Angle {
void read_restart(FILE *) override; void read_restart(FILE *) override;
void write_data(FILE *) override; void write_data(FILE *) override;
double single(int, int, int, int) override; double single(int, int, int, int) override;
void *extract(const char *, int &) override;
protected: protected:
double *k, *theta0, *k_ub, *r_ub; double *k, *theta0, *k_ub, *r_ub;