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refactored file parsing

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This commit is contained in:
Axel Kohlmeyer
2022-07-05 00:02:37 -04:00
parent 5331fa7a58
commit 7229c4eb43
2 changed files with 732 additions and 685 deletions
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1377
src/AMOEBA/amoeba_file.cpp
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File diff suppressed because it is too large Load Diff

40
src/AMOEBA/pair_amoeba.h
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@ -448,32 +448,28 @@ class PairAmoeba : public Pair {
void read_prmfile(char *);
void read_keyfile(char *);
int read_section_line(FILE *fp, char *, int &, char *);
int tokenize(char *, char **&, char *&);
int count_words(const char *);
void initialize_type_class();
void allocate_type_class(int, int);
void deallocate_type_class();
void file_ffield(int, char **);
void file_literature(int, char **);
void file_atomtype(int, char **);
void file_vdwl(int, char **);
void file_vdwl_pair(int, char **);
void file_bstretch(int, char **);
void file_sbend(int, char **);
void file_abend(int, char **);
void file_pauli(int, char **);
void file_dispersion(int, char **);
void file_ub(int, char **);
void file_outplane(int, char **);
void file_torsion(int, char **);
void file_pitorsion(int, char **);
void file_multipole(int, char **);
void file_charge_penetration(int, char **);
void file_dippolar(int, char **);
void file_charge_transfer(int, char **);
void file_ffield(const std::vector<std::string> &, int);
void file_literature(const std::vector<std::string> &, int);
void file_atomtype(const std::vector<std::string> &, int);
void file_vdwl(const std::vector<std::string> &, int);
void file_vdwl_pair(const std::vector<std::string> &, int);
void file_bstretch(const std::vector<std::string> &, int);
void file_sbend(const std::vector<std::string> &, int);
void file_abend(const std::vector<std::string> &, int);
void file_pauli(const std::vector<std::string> &, int);
void file_dispersion(const std::vector<std::string> &, int);
void file_ub(const std::vector<std::string> &, int);
void file_outplane(const std::vector<std::string> &, int);
void file_torsion(const std::vector<std::string> &, int);
void file_pitorsion(const std::vector<std::string> &, int);
void file_multipole(const std::vector<std::string> &, int);
void file_charge_penetration(const std::vector<std::string> &, int);
void file_dippolar(const std::vector<std::string> &, int);
void file_charge_transfer(const std::vector<std::string> &, int);
// inline function for neighbor list unmasking