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symmetries_finite.c File Reference

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Classes

struct  __fsid_t
 
struct  __mbstate_t
 
struct  _G_fpos_t
 
struct  _G_fpos64_t
 
struct  _IO_FILE
 
struct  div_t
 
struct  ldiv_t
 
struct  lldiv_t
 
struct  __sigset_t
 
struct  timeval
 
struct  timespec
 
struct  fd_set
 
struct  __pthread_internal_list
 
struct  __pthread_internal_slist
 
struct  __pthread_mutex_s
 
struct  __pthread_rwlock_arch_t
 
struct  __pthread_cond_s
 
union  pthread_mutexattr_t
 
union  pthread_condattr_t
 
union  pthread_attr_t
 
union  pthread_mutex_t
 
union  pthread_cond_t
 
union  pthread_rwlock_t
 
union  pthread_rwlockattr_t
 
union  pthread_barrier_t
 
union  pthread_barrierattr_t
 
struct  _SYMMETRY_ELEMENT_
 
struct  POINT_GROUP
 

Typedefs

typedef unsigned char __u_char
 
typedef unsigned short int __u_short
 
typedef unsigned int __u_int
 
typedef unsigned long int __u_long
 
typedef signed char __int8_t
 
typedef unsigned char __uint8_t
 
typedef signed short int __int16_t
 
typedef unsigned short int __uint16_t
 
typedef signed int __int32_t
 
typedef unsigned int __uint32_t
 
typedef signed long int __int64_t
 
typedef unsigned long int __uint64_t
 
typedef __int8_t __int_least8_t
 
typedef __uint8_t __uint_least8_t
 
typedef __int16_t __int_least16_t
 
typedef __uint16_t __uint_least16_t
 
typedef __int32_t __int_least32_t
 
typedef __uint32_t __uint_least32_t
 
typedef __int64_t __int_least64_t
 
typedef __uint64_t __uint_least64_t
 
typedef long int __quad_t
 
typedef unsigned long int __u_quad_t
 
typedef long int __intmax_t
 
typedef unsigned long int __uintmax_t
 
typedef unsigned long int __dev_t
 
typedef unsigned int __uid_t
 
typedef unsigned int __gid_t
 
typedef unsigned long int __ino_t
 
typedef unsigned long int __ino64_t
 
typedef unsigned int __mode_t
 
typedef unsigned long int __nlink_t
 
typedef long int __off_t
 
typedef long int __off64_t
 
typedef int __pid_t
 
typedef long int __clock_t
 
typedef unsigned long int __rlim_t
 
typedef unsigned long int __rlim64_t
 
typedef unsigned int __id_t
 
typedef long int __time_t
 
typedef unsigned int __useconds_t
 
typedef long int __suseconds_t
 
typedef int __daddr_t
 
typedef int __key_t
 
typedef int __clockid_t
 
typedef void * __timer_t
 
typedef long int __blksize_t
 
typedef long int __blkcnt_t
 
typedef long int __blkcnt64_t
 
typedef unsigned long int __fsblkcnt_t
 
typedef unsigned long int __fsblkcnt64_t
 
typedef unsigned long int __fsfilcnt_t
 
typedef unsigned long int __fsfilcnt64_t
 
typedef long int __fsword_t
 
typedef long int __ssize_t
 
typedef long int __syscall_slong_t
 
typedef unsigned long int __syscall_ulong_t
 
typedef __off64_t __loff_t
 
typedef char * __caddr_t
 
typedef long int __intptr_t
 
typedef unsigned int __socklen_t
 
typedef int __sig_atomic_t
 
typedef float float_t
 
typedef double double_t
 
typedef long unsigned int size_t
 
typedef __builtin_va_list __gnuc_va_list
 
typedef struct _G_fpos_t __fpos_t
 
typedef struct _G_fpos64_t __fpos64_t
 
typedef struct _IO_FILE __FILE
 
typedef struct _IO_FILE FILE
 
typedef void _IO_lock_t
 
typedef __gnuc_va_list va_list
 
typedef __off_t off_t
 
typedef __ssize_t ssize_t
 
typedef __fpos_t fpos_t
 
typedef int wchar_t
 
typedef __sigset_t sigset_t
 
typedef __suseconds_t suseconds_t
 
typedef long int __fd_mask
 
typedef __fd_mask fd_mask
 
typedef __blksize_t blksize_t
 
typedef __blkcnt_t blkcnt_t
 
typedef __fsblkcnt_t fsblkcnt_t
 
typedef __fsfilcnt_t fsfilcnt_t
 
typedef struct __pthread_internal_list __pthread_list_t
 
typedef struct __pthread_internal_slist __pthread_slist_t
 
typedef unsigned long int pthread_t
 
typedef unsigned int pthread_key_t
 
typedef int pthread_once_t
 
typedef union pthread_attr_t pthread_attr_t
 
typedef volatile int pthread_spinlock_t
 
typedef struct __locale_struct * __locale_t
 
typedef __locale_t locale_t
 
typedef struct _SYMMETRY_ELEMENT_ SYMMETRY_ELEMENT
 

Enumerations

enum  idtype_t {
  P_ALL , P_PID , P_PGID , P_ALL ,
  P_PID , P_PGID , P_ALL , P_PID ,
  P_PGID , P_ALL , P_PID , P_PGID ,
  P_ALL , P_PID , P_PGID , P_ALL ,
  P_PID , P_PGID , P_ALL , P_PID ,
  P_PGID , P_ALL , P_PID , P_PGID ,
  P_ALL , P_PID , P_PGID , P_ALL ,
  P_PID , P_PGID
}
 

Functions

int __fpclassify (double __value) __attribute__((__nothrow__
 
int __leaf__ __attribute__ ((__const__))
 
int __signbit (double __value) __attribute__((__nothrow__
 
int __isinf (double __value) __attribute__((__nothrow__
 
int __finite (double __value) __attribute__((__nothrow__
 
int __isnan (double __value) __attribute__((__nothrow__
 
int __iseqsig (double __x, double __y) __attribute__((__nothrow__
 
int __issignaling (double __value) __attribute__((__nothrow__
 
double acos (double __x) __attribute__((__nothrow__
 
double __acos (double __x) __attribute__((__nothrow__
 
double asin (double __x) __attribute__((__nothrow__
 
double __asin (double __x) __attribute__((__nothrow__
 
double atan (double __x) __attribute__((__nothrow__
 
double __atan (double __x) __attribute__((__nothrow__
 
double atan2 (double __y, double __x) __attribute__((__nothrow__
 
double __atan2 (double __y, double __x) __attribute__((__nothrow__
 
double cos (double __x) __attribute__((__nothrow__
 
double __cos (double __x) __attribute__((__nothrow__
 
double sin (double __x) __attribute__((__nothrow__
 
double __sin (double __x) __attribute__((__nothrow__
 
double tan (double __x) __attribute__((__nothrow__
 
double __tan (double __x) __attribute__((__nothrow__
 
double cosh (double __x) __attribute__((__nothrow__
 
double __cosh (double __x) __attribute__((__nothrow__
 
double sinh (double __x) __attribute__((__nothrow__
 
double __sinh (double __x) __attribute__((__nothrow__
 
double tanh (double __x) __attribute__((__nothrow__
 
double __tanh (double __x) __attribute__((__nothrow__
 
double acosh (double __x) __attribute__((__nothrow__
 
double __acosh (double __x) __attribute__((__nothrow__
 
double asinh (double __x) __attribute__((__nothrow__
 
double __asinh (double __x) __attribute__((__nothrow__
 
double atanh (double __x) __attribute__((__nothrow__
 
double __atanh (double __x) __attribute__((__nothrow__
 
double exp (double __x) __attribute__((__nothrow__
 
double __exp (double __x) __attribute__((__nothrow__
 
double frexp (double __x, int *__exponent) __attribute__((__nothrow__
 
double __frexp (double __x, int *__exponent) __attribute__((__nothrow__
 
double ldexp (double __x, int __exponent) __attribute__((__nothrow__
 
double __ldexp (double __x, int __exponent) __attribute__((__nothrow__
 
double log (double __x) __attribute__((__nothrow__
 
double __log (double __x) __attribute__((__nothrow__
 
double log10 (double __x) __attribute__((__nothrow__
 
double __log10 (double __x) __attribute__((__nothrow__
 
double modf (double __x, double *__iptr) __attribute__((__nothrow__
 
double __modf (double __x, double *__iptr) __attribute__((__nothrow__
 
double __leaf__ __attribute__ ((__nonnull__(2)))
 
double expm1 (double __x) __attribute__((__nothrow__
 
double __expm1 (double __x) __attribute__((__nothrow__
 
double log1p (double __x) __attribute__((__nothrow__
 
double __log1p (double __x) __attribute__((__nothrow__
 
double logb (double __x) __attribute__((__nothrow__
 
double __logb (double __x) __attribute__((__nothrow__
 
double exp2 (double __x) __attribute__((__nothrow__
 
double __exp2 (double __x) __attribute__((__nothrow__
 
double log2 (double __x) __attribute__((__nothrow__
 
double __log2 (double __x) __attribute__((__nothrow__
 
double pow (double __x, double __y) __attribute__((__nothrow__
 
double __pow (double __x, double __y) __attribute__((__nothrow__
 
double sqrt (double __x) __attribute__((__nothrow__
 
double __sqrt (double __x) __attribute__((__nothrow__
 
double hypot (double __x, double __y) __attribute__((__nothrow__
 
double __hypot (double __x, double __y) __attribute__((__nothrow__
 
double cbrt (double __x) __attribute__((__nothrow__
 
double __cbrt (double __x) __attribute__((__nothrow__
 
double ceil (double __x) __attribute__((__nothrow__
 
double __ceil (double __x) __attribute__((__nothrow__
 
double fabs (double __x) __attribute__((__nothrow__
 
double __fabs (double __x) __attribute__((__nothrow__
 
double floor (double __x) __attribute__((__nothrow__
 
double __floor (double __x) __attribute__((__nothrow__
 
double fmod (double __x, double __y) __attribute__((__nothrow__
 
double __fmod (double __x, double __y) __attribute__((__nothrow__
 
int isinf (double __value) __attribute__((__nothrow__
 
int finite (double __value) __attribute__((__nothrow__
 
double drem (double __x, double __y) __attribute__((__nothrow__
 
double __drem (double __x, double __y) __attribute__((__nothrow__
 
double significand (double __x) __attribute__((__nothrow__
 
double __significand (double __x) __attribute__((__nothrow__
 
double copysign (double __x, double __y) __attribute__((__nothrow__
 
double __copysign (double __x, double __y) __attribute__((__nothrow__
 
double nan (const char *__tagb) __attribute__((__nothrow__
 
double __nan (const char *__tagb) __attribute__((__nothrow__
 
int isnan (double __value) __attribute__((__nothrow__
 
double j0 (extern double lgamma_r(double)
 
int remove (const char *__filename) __attribute__((__nothrow__
 
int rename (const char *__old, const char *__new) __attribute__((__nothrow__
 
int renameat (int __oldfd, const char *__old, int __newfd, const char *__new) __attribute__((__nothrow__
 
FILEtmpfile (void)
 
char * tmpnam (char *__s) __attribute__((__nothrow__
 
char * tmpnam_r (char *__s) __attribute__((__nothrow__
 
char * tempnam (const char *__dir, const char *__pfx) __attribute__((__nothrow__
 
char __leaf__ __attribute__ ((__malloc__))
 
int fclose (FILE *__stream)
 
int fflush (FILE *__stream)
 
int fflush_unlocked (FILE *__stream)
 
FILEfopen (const char *__restrict __filename, const char *__restrict __modes)
 
FILEfreopen (const char *__restrict __filename, const char *__restrict __modes, FILE *__restrict __stream)
 
FILEfdopen (int __fd, const char *__modes) __attribute__((__nothrow__
 
FILEfmemopen (void *__s, size_t __len, const char *__modes) __attribute__((__nothrow__
 
FILEopen_memstream (char **__bufloc, size_t *__sizeloc) __attribute__((__nothrow__
 
void setbuf (FILE *__restrict __stream, char *__restrict __buf) __attribute__((__nothrow__
 
int setvbuf (FILE *__restrict __stream, char *__restrict __buf, int __modes, size_t __n) __attribute__((__nothrow__
 
void setbuffer (FILE *__restrict __stream, char *__restrict __buf, size_t __size) __attribute__((__nothrow__
 
void setlinebuf (FILE *__stream) __attribute__((__nothrow__
 
int fprintf (FILE *__restrict __stream, const char *__restrict __format,...)
 
int printf (const char *__restrict __format,...)
 
int sprintf (char *__restrict __s, const char *__restrict __format,...) __attribute__((__nothrow__))
 
int vfprintf (FILE *__restrict __s, const char *__restrict __format, __gnuc_va_list __arg)
 
int vprintf (const char *__restrict __format, __gnuc_va_list __arg)
 
int vsprintf (char *__restrict __s, const char *__restrict __format, __gnuc_va_list __arg) __attribute__((__nothrow__))
 
int snprintf (char *__restrict __s, size_t __maxlen, const char *__restrict __format,...) __attribute__((__nothrow__)) __attribute__((__format__(__printf__
 
int int vsnprintf (char *__restrict __s, size_t __maxlen, const char *__restrict __format, __gnuc_va_list __arg) __attribute__((__nothrow__)) __attribute__((__format__(__printf__
 
int int int vdprintf (int __fd, const char *__restrict __fmt, __gnuc_va_list __arg) __attribute__((__format__(__printf__
 
int int int int dprintf (int __fd, const char *__restrict __fmt,...) __attribute__((__format__(__printf__
 
int int int int int fscanf (FILE *__restrict __stream, const char *__restrict __format,...)
 
int scanf (const char *__restrict __format,...)
 
int sscanf (const char *__restrict __s, const char *__restrict __format,...) __attribute__((__nothrow__
 
int vfscanf (FILE *__restrict __s, const char *__restrict __format, __gnuc_va_list __arg) __attribute__((__format__(__scanf__
 
int int vscanf (const char *__restrict __format, __gnuc_va_list __arg) __attribute__((__format__(__scanf__
 
int int int vsscanf (const char *__restrict __s, const char *__restrict __format, __gnuc_va_list __arg) __attribute__((__nothrow__
 
int int int __leaf__ __attribute__ ((__format__(__scanf__, 2, 0)))
 
int fgetc (FILE *__stream)
 
int getc (FILE *__stream)
 
int getchar (void)
 
int getc_unlocked (FILE *__stream)
 
int getchar_unlocked (void)
 
int fgetc_unlocked (FILE *__stream)
 
int fputc (int __c, FILE *__stream)
 
int putc (int __c, FILE *__stream)
 
int putchar (int __c)
 
int fputc_unlocked (int __c, FILE *__stream)
 
int putc_unlocked (int __c, FILE *__stream)
 
int putchar_unlocked (int __c)
 
int getw (FILE *__stream)
 
int putw (int __w, FILE *__stream)
 
char * fgets (char *__restrict __s, int __n, FILE *__restrict __stream)
 
__ssize_t __getdelim (char **__restrict __lineptr, size_t *__restrict __n, int __delimiter, FILE *__restrict __stream)
 
__ssize_t getdelim (char **__restrict __lineptr, size_t *__restrict __n, int __delimiter, FILE *__restrict __stream)
 
__ssize_t getline (char **__restrict __lineptr, size_t *__restrict __n, FILE *__restrict __stream)
 
int fputs (const char *__restrict __s, FILE *__restrict __stream)
 
int puts (const char *__s)
 
int ungetc (int __c, FILE *__stream)
 
size_t fread (void *__restrict __ptr, size_t __size, size_t __n, FILE *__restrict __stream)
 
size_t fwrite (const void *__restrict __ptr, size_t __size, size_t __n, FILE *__restrict __s)
 
size_t fread_unlocked (void *__restrict __ptr, size_t __size, size_t __n, FILE *__restrict __stream)
 
size_t fwrite_unlocked (const void *__restrict __ptr, size_t __size, size_t __n, FILE *__restrict __stream)
 
int fseek (FILE *__stream, long int __off, int __whence)
 
long int ftell (FILE *__stream)
 
void rewind (FILE *__stream)
 
int fseeko (FILE *__stream, __off_t __off, int __whence)
 
__off_t ftello (FILE *__stream)
 
int fgetpos (FILE *__restrict __stream, fpos_t *__restrict __pos)
 
int fsetpos (FILE *__stream, const fpos_t *__pos)
 
void clearerr (FILE *__stream) __attribute__((__nothrow__
 
int feof (FILE *__stream) __attribute__((__nothrow__
 
int ferror (FILE *__stream) __attribute__((__nothrow__
 
void clearerr_unlocked (FILE *__stream) __attribute__((__nothrow__
 
int feof_unlocked (FILE *__stream) __attribute__((__nothrow__
 
int ferror_unlocked (FILE *__stream) __attribute__((__nothrow__
 
void perror (const char *__s)
 
int fileno (FILE *__stream) __attribute__((__nothrow__
 
int fileno_unlocked (FILE *__stream) __attribute__((__nothrow__
 
FILEpopen (const char *__command, const char *__modes)
 
int pclose (FILE *__stream)
 
char * ctermid (char *__s) __attribute__((__nothrow__
 
void flockfile (FILE *__stream) __attribute__((__nothrow__
 
int ftrylockfile (FILE *__stream) __attribute__((__nothrow__
 
void funlockfile (FILE *__stream) __attribute__((__nothrow__
 
int __uflow (FILE *)
 
int __overflow (FILE *, int)
 
size_t __ctype_get_mb_cur_max (void)
 
static __inline __uint32_t __bswap_32 (__uint32_t __bsx)
 
static __extension__ __inline __uint64_t __bswap_64 (__uint64_t __bsx)
 
static __inline __uint16_t __uint16_identity (__uint16_t __x)
 
static __inline __uint32_t __uint32_identity (__uint32_t __x)
 
static __inline __uint64_t __uint64_identity (__uint64_t __x)
 
int select (int __nfds, fd_set *__restrict __readfds, fd_set *__restrict __writefds, fd_set *__restrict __exceptfds, struct timeval *__restrict __timeout)
 
int pselect (int __nfds, fd_set *__restrict __readfds, fd_set *__restrict __writefds, fd_set *__restrict __exceptfds, const struct timespec *__restrict __timeout, const __sigset_t *__restrict __sigmask)
 
long int random (void)
 
int random_r (struct random_data *__restrict __buf, int32_t *__restrict __result) __attribute__((__nothrow__
 
int __leaf__ __attribute__ ((__nonnull__(1, 2)))
 
int srandom_r (unsigned int __seed, struct random_data *__buf) __attribute__((__nothrow__
 
int initstate_r (unsigned int __seed, char *__restrict __statebuf, size_t __statelen, struct random_data *__restrict __buf) __attribute__((__nothrow__
 
int __leaf__ __attribute__ ((__nonnull__(2, 4)))
 
int setstate_r (char *__restrict __statebuf, struct random_data *__restrict __buf) __attribute__((__nothrow__
 
int rand (void)
 
int drand48_r (struct drand48_data *__restrict __buffer, double *__restrict __result) __attribute__((__nothrow__
 
int erand48_r (unsigned short int __xsubi[3], struct drand48_data *__restrict __buffer, double *__restrict __result) __attribute__((__nothrow__
 
int lrand48_r (struct drand48_data *__restrict __buffer, long int *__restrict __result) __attribute__((__nothrow__
 
int nrand48_r (unsigned short int __xsubi[3], struct drand48_data *__restrict __buffer, long int *__restrict __result) __attribute__((__nothrow__
 
int mrand48_r (struct drand48_data *__restrict __buffer, long int *__restrict __result) __attribute__((__nothrow__
 
int jrand48_r (unsigned short int __xsubi[3], struct drand48_data *__restrict __buffer, long int *__restrict __result) __attribute__((__nothrow__
 
int srand48_r (long int __seedval, struct drand48_data *__buffer) __attribute__((__nothrow__
 
int seed48_r (unsigned short int __seed16v[3], struct drand48_data *__buffer) __attribute__((__nothrow__
 
int lcong48_r (unsigned short int __param[7], struct drand48_data *__buffer) __attribute__((__nothrow__
 
void * malloc (size_t __size) __attribute__((__nothrow__
 
int strcoll_l (const char *__s1, const char *__s2, locale_t __l) __attribute__((__nothrow__
 
int __leaf__ __attribute__ ((__pure__))
 
int true (void)
 
double pow2 (double x)
 
int establish_pairs (SYMMETRY_ELEMENT *elem)
 
int check_transform_order (SYMMETRY_ELEMENT *elem)
 
int same_transform (SYMMETRY_ELEMENT *a, SYMMETRY_ELEMENT *b)
 
SYMMETRY_ELEMENTalloc_symmetry_element (void)
 
void destroy_symmetry_element (SYMMETRY_ELEMENT *elem)
 
int check_transform_quality (SYMMETRY_ELEMENT *elem)
 
double eval_optimization_target_function (SYMMETRY_ELEMENT *elem, int *finish)
 
void get_params (SYMMETRY_ELEMENT *elem, double values[])
 
void set_params (SYMMETRY_ELEMENT *elem, double values[])
 
void optimize_transformation_params (SYMMETRY_ELEMENT *elem)
 
int refine_symmetry_element (SYMMETRY_ELEMENT *elem, int build_table)
 
void mirror_atom (SYMMETRY_ELEMENT *plane, ATOM *from, ATOM *to)
 
SYMMETRY_ELEMENTinit_mirror_plane (int i, int j)
 
SYMMETRY_ELEMENTinit_ultimate_plane (void)
 
void invert_atom (SYMMETRY_ELEMENT *center, ATOM *from, ATOM *to)
 
SYMMETRY_ELEMENTinit_inversion_center (void)
 
void rotate_atom (SYMMETRY_ELEMENT *axis, ATOM *from, ATOM *to)
 
SYMMETRY_ELEMENTinit_ultimate_axis (void)
 
SYMMETRY_ELEMENTinit_c2_axis (int i, int j, double support[3])
 
SYMMETRY_ELEMENTinit_axis_parameters (double a[3], double b[3], double c[3])
 
SYMMETRY_ELEMENTinit_higher_axis (int ia, int ib, int ic)
 
void rotate_reflect_atom (SYMMETRY_ELEMENT *axis, ATOM *from, ATOM *to)
 
SYMMETRY_ELEMENTinit_improper_axis (int ia, int ib, int ic)
 
void find_center_of_something (void)
 
void find_planes (void)
 
void destroy_planes (void)
 
void find_inversion_centers (void)
 
void destroy_inversion_centers (void)
 
void find_infinity_axis (void)
 
void find_c2_axes (void)
 
void destroy_normal_axes ()
 
void destroy_improper_axes ()
 
void find_higher_axes (void)
 
void find_improper_axes (void)
 
void report_planes (void)
 
void report_inversion_centers (void)
 
void report_axes (void)
 
void report_improper_axes (void)
 
void report_and_reset_counters (void)
 
void find_symmetry_elements (void)
 
int compare_axes (const void *a, const void *b)
 
void sort_symmetry_elements (void)
 
void report_symmetry_elements_verbose (void)
 
void summarize_symmetry_elements (void)
 
void report_symmetry_elements_brief ()
 
void identify_point_group (int *point_group)
 
void FC_FUNC_ (symmetries_finite_init, SYMMETRIES_FINITE_INIT) const
 
void FC_FUNC_ (symmetries_finite_get_group_name, SYMMETRIES_FINITE_GET_GROUP_NAME) const
 
void FC_FUNC_ (symmetries_finite_get_group_elements, SYMMETRIES_FINITE_GET_GROUP_ELEMENTS) const
 
void FC_FUNC_ (symmetries_finite_end, SYMMETRIES_FINITE_END)()
 

Variables

int __leaf__
 
FILEstdin
 
FILEstdout
 
FILEstderr
 
int sys_nerr
 
const char *const sys_errlist []
 
 ATOM
 
static double ToleranceSame = 1e-3
 
static double TolerancePrimary = 5e-2
 
static double ToleranceFinal = 1e-4
 
static double MaxOptStep = 5e-1
 
static double MinOptStep = 1e-7
 
static double GradientStep = 1e-7
 
static double OptChangeThreshold = 1e-10
 
static double CenterOfSomething [3]
 
static double * DistanceFromCenter
 
static int verbose = 0
 
static int MaxOptCycles = 200
 
static int OptChangeHits = 5
 
static int MaxAxisOrder = 20
 
static int AtomsCount = 0
 
static ATOMAtoms
 
static int PlanesCount = 0
 
static SYMMETRY_ELEMENT ** Planes
 
static SYMMETRY_ELEMENTMolecularPlane
 
static int InversionCentersCount = 0
 
static SYMMETRY_ELEMENT ** InversionCenters
 
static int NormalAxesCount = 0
 
static SYMMETRY_ELEMENT ** NormalAxes
 
static int ImproperAxesCount = 0
 
static SYMMETRY_ELEMENT ** ImproperAxes
 
static int * NormalAxesCounts
 
static int * ImproperAxesCounts
 
static int BadOptimization = 0
 
static char * SymmetryCode
 
static long StatTotal = 0
 
static long StatEarly = 0
 
static long StatPairs = 0
 
static long StatDups = 0
 
static long StatOrder = 0
 
static long StatOpt = 0
 
static long StatAccept = 0
 
POINT_GROUP PointGroups []
 
char * PointGroupRejectionReason
 

Typedef Documentation

◆ __u_char

typedef unsigned char __u_char

Definition at line 51 of file symmetries_finite.c.

◆ __u_short

typedef unsigned short int __u_short

Definition at line 52 of file symmetries_finite.c.

◆ __u_int

typedef unsigned int __u_int

Definition at line 53 of file symmetries_finite.c.

◆ __u_long

typedef unsigned long int __u_long

Definition at line 54 of file symmetries_finite.c.

◆ __int8_t

typedef signed char __int8_t

Definition at line 57 of file symmetries_finite.c.

◆ __uint8_t

typedef unsigned char __uint8_t

Definition at line 58 of file symmetries_finite.c.

◆ __int16_t

typedef signed short int __int16_t

Definition at line 59 of file symmetries_finite.c.

◆ __uint16_t

typedef unsigned short int __uint16_t

Definition at line 60 of file symmetries_finite.c.

◆ __int32_t

typedef signed int __int32_t

Definition at line 61 of file symmetries_finite.c.

◆ __uint32_t

typedef unsigned int __uint32_t

Definition at line 62 of file symmetries_finite.c.

◆ __int64_t

typedef signed long int __int64_t

Definition at line 64 of file symmetries_finite.c.

◆ __uint64_t

typedef unsigned long int __uint64_t

Definition at line 65 of file symmetries_finite.c.

◆ __int_least8_t

Definition at line 72 of file symmetries_finite.c.

◆ __uint_least8_t

Definition at line 73 of file symmetries_finite.c.

◆ __int_least16_t

Definition at line 74 of file symmetries_finite.c.

◆ __uint_least16_t

Definition at line 75 of file symmetries_finite.c.

◆ __int_least32_t

Definition at line 76 of file symmetries_finite.c.

◆ __uint_least32_t

Definition at line 77 of file symmetries_finite.c.

◆ __int_least64_t

Definition at line 78 of file symmetries_finite.c.

◆ __uint_least64_t

Definition at line 79 of file symmetries_finite.c.

◆ __quad_t

typedef long int __quad_t

Definition at line 83 of file symmetries_finite.c.

◆ __u_quad_t

typedef unsigned long int __u_quad_t

Definition at line 84 of file symmetries_finite.c.

◆ __intmax_t

typedef long int __intmax_t

Definition at line 92 of file symmetries_finite.c.

◆ __uintmax_t

typedef unsigned long int __uintmax_t

Definition at line 93 of file symmetries_finite.c.

◆ __dev_t

typedef unsigned long int __dev_t

Definition at line 101 of file symmetries_finite.c.

◆ __uid_t

typedef unsigned int __uid_t

Definition at line 102 of file symmetries_finite.c.

◆ __gid_t

typedef unsigned int __gid_t

Definition at line 103 of file symmetries_finite.c.

◆ __ino_t

typedef unsigned long int __ino_t

Definition at line 104 of file symmetries_finite.c.

◆ __ino64_t

typedef unsigned long int __ino64_t

Definition at line 105 of file symmetries_finite.c.

◆ __mode_t

typedef unsigned int __mode_t

Definition at line 106 of file symmetries_finite.c.

◆ __nlink_t

typedef unsigned long int __nlink_t

Definition at line 107 of file symmetries_finite.c.

◆ __off_t

typedef long int __off_t

Definition at line 108 of file symmetries_finite.c.

◆ __off64_t

typedef long int __off64_t

Definition at line 109 of file symmetries_finite.c.

◆ __pid_t

typedef int __pid_t

Definition at line 110 of file symmetries_finite.c.

◆ __clock_t

typedef long int __clock_t

Definition at line 112 of file symmetries_finite.c.

◆ __rlim_t

typedef unsigned long int __rlim_t

Definition at line 113 of file symmetries_finite.c.

◆ __rlim64_t

typedef unsigned long int __rlim64_t

Definition at line 114 of file symmetries_finite.c.

◆ __id_t

typedef unsigned int __id_t

Definition at line 115 of file symmetries_finite.c.

◆ __time_t

typedef long int __time_t

Definition at line 116 of file symmetries_finite.c.

◆ __useconds_t

typedef unsigned int __useconds_t

Definition at line 117 of file symmetries_finite.c.

◆ __suseconds_t

typedef long int __suseconds_t

Definition at line 118 of file symmetries_finite.c.

◆ __daddr_t

typedef int __daddr_t

Definition at line 120 of file symmetries_finite.c.

◆ __key_t

typedef int __key_t

Definition at line 121 of file symmetries_finite.c.

◆ __clockid_t

typedef int __clockid_t

Definition at line 124 of file symmetries_finite.c.

◆ __timer_t

typedef void* __timer_t

Definition at line 127 of file symmetries_finite.c.

◆ __blksize_t

typedef long int __blksize_t

Definition at line 130 of file symmetries_finite.c.

◆ __blkcnt_t

typedef long int __blkcnt_t

Definition at line 135 of file symmetries_finite.c.

◆ __blkcnt64_t

typedef long int __blkcnt64_t

Definition at line 136 of file symmetries_finite.c.

◆ __fsblkcnt_t

typedef unsigned long int __fsblkcnt_t

Definition at line 139 of file symmetries_finite.c.

◆ __fsblkcnt64_t

typedef unsigned long int __fsblkcnt64_t

Definition at line 140 of file symmetries_finite.c.

◆ __fsfilcnt_t

typedef unsigned long int __fsfilcnt_t

Definition at line 143 of file symmetries_finite.c.

◆ __fsfilcnt64_t

typedef unsigned long int __fsfilcnt64_t

Definition at line 144 of file symmetries_finite.c.

◆ __fsword_t

typedef long int __fsword_t

Definition at line 147 of file symmetries_finite.c.

◆ __ssize_t

typedef long int __ssize_t

Definition at line 149 of file symmetries_finite.c.

◆ __syscall_slong_t

typedef long int __syscall_slong_t

Definition at line 152 of file symmetries_finite.c.

◆ __syscall_ulong_t

typedef unsigned long int __syscall_ulong_t

Definition at line 154 of file symmetries_finite.c.

◆ __loff_t

Definition at line 158 of file symmetries_finite.c.

◆ __caddr_t

typedef char* __caddr_t

Definition at line 159 of file symmetries_finite.c.

◆ __intptr_t

typedef long int __intptr_t

Definition at line 162 of file symmetries_finite.c.

◆ __socklen_t

typedef unsigned int __socklen_t

Definition at line 165 of file symmetries_finite.c.

◆ __sig_atomic_t

typedef int __sig_atomic_t

Definition at line 170 of file symmetries_finite.c.

◆ float_t

typedef float float_t

Definition at line 193 of file symmetries_finite.c.

◆ double_t

typedef double double_t

Definition at line 194 of file symmetries_finite.c.

◆ size_t

typedef long unsigned int size_t

Definition at line 1067 of file symmetries_finite.c.

◆ __gnuc_va_list

typedef __builtin_va_list __gnuc_va_list

Definition at line 1073 of file symmetries_finite.c.

◆ __fpos_t

typedef struct _G_fpos_t __fpos_t

◆ __fpos64_t

typedef struct _G_fpos64_t __fpos64_t

◆ __FILE

typedef struct _IO_FILE __FILE

Definition at line 1117 of file symmetries_finite.c.

◆ FILE

typedef struct _IO_FILE FILE

Definition at line 1126 of file symmetries_finite.c.

◆ _IO_lock_t

typedef void _IO_lock_t

Definition at line 1138 of file symmetries_finite.c.

◆ va_list

Definition at line 1197 of file symmetries_finite.c.

◆ off_t

typedef __off_t off_t

Definition at line 1199 of file symmetries_finite.c.

◆ ssize_t

typedef __ssize_t ssize_t

Definition at line 1201 of file symmetries_finite.c.

◆ fpos_t

typedef __fpos_t fpos_t

Definition at line 1208 of file symmetries_finite.c.

◆ wchar_t

typedef int wchar_t

Definition at line 1638 of file symmetries_finite.c.

◆ sigset_t

Definition at line 1984 of file symmetries_finite.c.

◆ suseconds_t

Definition at line 2019 of file symmetries_finite.c.

◆ __fd_mask

typedef long int __fd_mask

Definition at line 2025 of file symmetries_finite.c.

◆ fd_mask

typedef __fd_mask fd_mask

Definition at line 2045 of file symmetries_finite.c.

◆ blksize_t

Definition at line 2067 of file symmetries_finite.c.

◆ blkcnt_t

Definition at line 2074 of file symmetries_finite.c.

◆ fsblkcnt_t

Definition at line 2078 of file symmetries_finite.c.

◆ fsfilcnt_t

Definition at line 2082 of file symmetries_finite.c.

◆ __pthread_list_t

◆ __pthread_slist_t

◆ pthread_t

typedef unsigned long int pthread_t

Definition at line 2191 of file symmetries_finite.c.

◆ pthread_key_t

typedef unsigned int pthread_key_t

Definition at line 2213 of file symmetries_finite.c.

◆ pthread_once_t

typedef int pthread_once_t

Definition at line 2217 of file symmetries_finite.c.

◆ pthread_attr_t

Definition at line 2226 of file symmetries_finite.c.

◆ pthread_spinlock_t

typedef volatile int pthread_spinlock_t

Definition at line 2267 of file symmetries_finite.c.

◆ __locale_t

typedef struct __locale_struct* __locale_t

Definition at line 2799 of file symmetries_finite.c.

◆ locale_t

Definition at line 2802 of file symmetries_finite.c.

◆ SYMMETRY_ELEMENT

Enumeration Type Documentation

◆ idtype_t

enum idtype_t
Enumerator
P_ALL 
P_PID 
P_PGID 
P_ALL 
P_PID 
P_PGID 
P_ALL 
P_PID 
P_PGID 
P_ALL 
P_PID 
P_PGID 
P_ALL 
P_PID 
P_PGID 
P_ALL 
P_PID 
P_PGID 
P_ALL 
P_PID 
P_PGID 
P_ALL 
P_PID 
P_PGID 
P_ALL 
P_PID 
P_PGID 
P_ALL 
P_PID 
P_PGID 

Definition at line 1649 of file symmetries_finite.c.

Function Documentation

◆ __fpclassify()

int __fpclassify ( double  __value)

◆ __attribute__() [1/7]

int __leaf__ __attribute__ ( (__const__)  )

◆ __signbit()

int __signbit ( double  __value)

◆ __isinf()

int __isinf ( double  __value)

◆ __finite()

int __finite ( double  __value)

◆ __isnan()

int __isnan ( double  __value)

◆ __iseqsig()

int __iseqsig ( double  __x,
double  __y 
)

◆ __issignaling()

int __issignaling ( double  __value)

◆ acos()

double acos ( double  __x)

◆ __acos()

double __acos ( double  __x)

◆ asin()

double asin ( double  __x)

◆ __asin()

double __asin ( double  __x)

◆ atan()

double atan ( double  __x)

◆ __atan()

double __atan ( double  __x)

◆ atan2()

double atan2 ( double  __y,
double  __x 
)

◆ __atan2()

double __atan2 ( double  __y,
double  __x 
)

◆ cos()

double cos ( double  __x)

◆ __cos()

double __cos ( double  __x)

◆ sin()

double sin ( double  __x)

◆ __sin()

double __sin ( double  __x)

◆ tan()

double tan ( double  __x)

◆ __tan()

double __tan ( double  __x)

◆ cosh()

double cosh ( double  __x)

◆ __cosh()

double __cosh ( double  __x)

◆ sinh()

double sinh ( double  __x)

◆ __sinh()

double __sinh ( double  __x)

◆ tanh()

double tanh ( double  __x)

◆ __tanh()

double __tanh ( double  __x)

◆ acosh()

double acosh ( double  __x)

◆ __acosh()

double __acosh ( double  __x)

◆ asinh()

double asinh ( double  __x)

◆ __asinh()

double __asinh ( double  __x)

◆ atanh()

double atanh ( double  __x)

◆ __atanh()

double __atanh ( double  __x)

◆ exp()

double exp ( double  __x)

◆ __exp()

double __exp ( double  __x)

◆ frexp()

double frexp ( double  __x,
int *  __exponent 
)

◆ __frexp()

double __frexp ( double  __x,
int *  __exponent 
)

◆ ldexp()

double ldexp ( double  __x,
int  __exponent 
)

◆ __ldexp()

double __ldexp ( double  __x,
int  __exponent 
)

◆ log()

double log ( double  __x)

◆ __log()

double __log ( double  __x)

◆ log10()

double log10 ( double  __x)

◆ __log10()

double __log10 ( double  __x)

◆ modf()

double modf ( double  __x,
double *  __iptr 
)

◆ __modf()

double __modf ( double  __x,
double *  __iptr 
)

◆ __attribute__() [2/7]

double __leaf__ __attribute__ ( (__nonnull__(2))  )

◆ expm1()

double expm1 ( double  __x)

◆ __expm1()

double __expm1 ( double  __x)

◆ log1p()

double log1p ( double  __x)

◆ __log1p()

double __log1p ( double  __x)

◆ logb()

double logb ( double  __x)

◆ __logb()

double __logb ( double  __x)

◆ exp2()

double exp2 ( double  __x)

◆ __exp2()

double __exp2 ( double  __x)

◆ log2()

double log2 ( double  __x)

◆ __log2()

double __log2 ( double  __x)

◆ pow()

double pow ( double  __x,
double  __y 
)

◆ __pow()

double __pow ( double  __x,
double  __y 
)

◆ sqrt()

double sqrt ( double  __x)

◆ __sqrt()

double __sqrt ( double  __x)

◆ hypot()

double hypot ( double  __x,
double  __y 
)

◆ __hypot()

double __hypot ( double  __x,
double  __y 
)

◆ cbrt()

double cbrt ( double  __x)

◆ __cbrt()

double __cbrt ( double  __x)

◆ ceil()

double ceil ( double  __x)

◆ __ceil()

double __ceil ( double  __x)

◆ fabs()

double fabs ( double  __x)

◆ __fabs()

double __fabs ( double  __x)

◆ floor()

double floor ( double  __x)

◆ __floor()

double __floor ( double  __x)

◆ fmod()

double fmod ( double  __x,
double  __y 
)

◆ __fmod()

double __fmod ( double  __x,
double  __y 
)

◆ isinf()

int isinf ( double  __value)

◆ finite()

int finite ( double  __value)

◆ drem()

double drem ( double  __x,
double  __y 
)

◆ __drem()

double __drem ( double  __x,
double  __y 
)

◆ significand()

double significand ( double  __x)

◆ __significand()

double __significand ( double  __x)

◆ copysign()

double copysign ( double  __x,
double  __y 
)

◆ __copysign()

double __copysign ( double  __x,
double  __y 
)

◆ nan()

double nan ( const char *  __tagb)

◆ __nan()

double __nan ( const char *  __tagb)

◆ isnan()

int isnan ( double  __value)

◆ j0()

double j0 ( extern double lgamma_r (  double)

Definition at line 364 of file symmetries_finite.c.

◆ remove()

int remove ( const char *  __filename)

◆ rename()

int rename ( const char *  __old,
const char *  __new 
)

◆ renameat()

int renameat ( int  __oldfd,
const char *  __old,
int  __newfd,
const char *  __new 
)

◆ tmpfile()

FILE * tmpfile ( void  )

Definition at line 1393 of file io_binary.c.

◆ tmpnam()

char * tmpnam ( char *  __s)

◆ tmpnam_r()

char * tmpnam_r ( char *  __s)

◆ tempnam()

char * tempnam ( const char *  __dir,
const char *  __pfx 
)

◆ __attribute__() [3/7]

char __leaf__ __attribute__ ( (__malloc__)  )

Definition at line 2432 of file symmetries_finite.c.

◆ fclose()

int fclose ( FILE __stream)

◆ fflush()

int fflush ( FILE __stream)

◆ fflush_unlocked()

int fflush_unlocked ( FILE __stream)

◆ fopen()

FILE * fopen ( const char *__restrict  __filename,
const char *__restrict  __modes 
)

◆ freopen()

FILE * freopen ( const char *__restrict  __filename,
const char *__restrict  __modes,
FILE *__restrict  __stream 
)

◆ fdopen()

FILE * fdopen ( int  __fd,
const char *  __modes 
)

◆ fmemopen()

FILE * fmemopen ( void *  __s,
size_t  __len,
const char *  __modes 
)

◆ open_memstream()

FILE * open_memstream ( char **  __bufloc,
size_t __sizeloc 
)

◆ setbuf()

void setbuf ( FILE *__restrict  __stream,
char *__restrict  __buf 
)

◆ setvbuf()

int setvbuf ( FILE *__restrict  __stream,
char *__restrict  __buf,
int  __modes,
size_t  __n 
)

◆ setbuffer()

void setbuffer ( FILE *__restrict  __stream,
char *__restrict  __buf,
size_t  __size 
)

◆ setlinebuf()

void setlinebuf ( FILE __stream)

◆ fprintf()

int fprintf ( FILE *__restrict  __stream,
const char *__restrict  __format,
  ... 
)

◆ printf()

int printf ( const char *__restrict  __format,
  ... 
)

◆ sprintf()

int sprintf ( char *__restrict  __s,
const char *__restrict  __format,
  ... 
)

◆ vfprintf()

int vfprintf ( FILE *__restrict  __s,
const char *__restrict  __format,
__gnuc_va_list  __arg 
)

◆ vprintf()

int vprintf ( const char *__restrict  __format,
__gnuc_va_list  __arg 
)

◆ vsprintf()

int vsprintf ( char *__restrict  __s,
const char *__restrict  __format,
__gnuc_va_list  __arg 
)

◆ snprintf()

int snprintf ( char *__restrict  __s,
size_t  __maxlen,
const char *__restrict  __format,
  ... 
)

◆ vsnprintf()

int int vsnprintf ( char *__restrict  __s,
size_t  __maxlen,
const char *__restrict  __format,
__gnuc_va_list  __arg 
)

◆ vdprintf()

int int int vdprintf ( int  __fd,
const char *__restrict  __fmt,
__gnuc_va_list  __arg 
)

◆ dprintf()

int int int int dprintf ( int  __fd,
const char *__restrict  __fmt,
  ... 
)

◆ fscanf()

int int int int int fscanf ( FILE *__restrict  __stream,
const char *__restrict  __format,
  ... 
)

◆ scanf()

int scanf ( const char *__restrict  __format,
  ... 
)

◆ sscanf()

int sscanf ( const char *__restrict  __s,
const char *__restrict  __format,
  ... 
)

◆ vfscanf()

int vfscanf ( FILE *__restrict  __s,
const char *__restrict  __format,
__gnuc_va_list  __arg 
)

◆ vscanf()

int int vscanf ( const char *__restrict  __format,
__gnuc_va_list  __arg 
)

◆ vsscanf()

int int int vsscanf ( const char *__restrict  __s,
const char *__restrict  __format,
__gnuc_va_list  __arg 
)

◆ __attribute__() [4/7]

int int int __leaf__ __attribute__ ( (__format__(__scanf__, 2, 0))  )

◆ fgetc()

int fgetc ( FILE __stream)

◆ getc()

int getc ( FILE __stream)

◆ getchar()

int getchar ( void  )

◆ getc_unlocked()

int getc_unlocked ( FILE __stream)

◆ getchar_unlocked()

int getchar_unlocked ( void  )

◆ fgetc_unlocked()

int fgetc_unlocked ( FILE __stream)

◆ fputc()

int fputc ( int  __c,
FILE __stream 
)

◆ putc()

int putc ( int  __c,
FILE __stream 
)

◆ putchar()

int putchar ( int  __c)

◆ fputc_unlocked()

int fputc_unlocked ( int  __c,
FILE __stream 
)

◆ putc_unlocked()

int putc_unlocked ( int  __c,
FILE __stream 
)

◆ putchar_unlocked()

int putchar_unlocked ( int  __c)

◆ getw()

int getw ( FILE __stream)

◆ putw()

int putw ( int  __w,
FILE __stream 
)

◆ fgets()

char * fgets ( char *__restrict  __s,
int  __n,
FILE *__restrict  __stream 
)

◆ __getdelim()

__ssize_t __getdelim ( char **__restrict  __lineptr,
size_t *__restrict  __n,
int  __delimiter,
FILE *__restrict  __stream 
)

◆ getdelim()

__ssize_t getdelim ( char **__restrict  __lineptr,
size_t *__restrict  __n,
int  __delimiter,
FILE *__restrict  __stream 
)

◆ getline()

__ssize_t getline ( char **__restrict  __lineptr,
size_t *__restrict  __n,
FILE *__restrict  __stream 
)

◆ fputs()

int fputs ( const char *__restrict  __s,
FILE *__restrict  __stream 
)

◆ puts()

int puts ( const char *  __s)

◆ ungetc()

int ungetc ( int  __c,
FILE __stream 
)

◆ fread()

size_t fread ( void *__restrict  __ptr,
size_t  __size,
size_t  __n,
FILE *__restrict  __stream 
)

◆ fwrite()

size_t fwrite ( const void *__restrict  __ptr,
size_t  __size,
size_t  __n,
FILE *__restrict  __s 
)

◆ fread_unlocked()

size_t fread_unlocked ( void *__restrict  __ptr,
size_t  __size,
size_t  __n,
FILE *__restrict  __stream 
)

◆ fwrite_unlocked()

size_t fwrite_unlocked ( const void *__restrict  __ptr,
size_t  __size,
size_t  __n,
FILE *__restrict  __stream 
)

◆ fseek()

int fseek ( FILE __stream,
long int  __off,
int  __whence 
)

◆ ftell()

long int ftell ( FILE __stream)

◆ rewind()

void rewind ( FILE __stream)

◆ fseeko()

int fseeko ( FILE __stream,
__off_t  __off,
int  __whence 
)

◆ ftello()

__off_t ftello ( FILE __stream)

◆ fgetpos()

int fgetpos ( FILE *__restrict  __stream,
fpos_t *__restrict  __pos 
)

◆ fsetpos()

int fsetpos ( FILE __stream,
const fpos_t __pos 
)

◆ clearerr()

void clearerr ( FILE __stream)

◆ feof()

int feof ( FILE __stream)

◆ ferror()

int ferror ( FILE __stream)

◆ clearerr_unlocked()

void clearerr_unlocked ( FILE __stream)

◆ feof_unlocked()

int feof_unlocked ( FILE __stream)

◆ ferror_unlocked()

int ferror_unlocked ( FILE __stream)

◆ perror()

void perror ( const char *  __s)

◆ fileno()

int fileno ( FILE __stream)

◆ fileno_unlocked()

int fileno_unlocked ( FILE __stream)

◆ popen()

FILE * popen ( const char *  __command,
const char *  __modes 
)

◆ pclose()

int pclose ( FILE __stream)

◆ ctermid()

char * ctermid ( char *  __s)

◆ flockfile()

void flockfile ( FILE __stream)

◆ ftrylockfile()

int ftrylockfile ( FILE __stream)

◆ funlockfile()

void funlockfile ( FILE __stream)

◆ __uflow()

int __uflow ( FILE )

◆ __overflow()

int __overflow ( FILE ,
int   
)

◆ __ctype_get_mb_cur_max()

size_t __ctype_get_mb_cur_max ( void  )

Definition at line 1683 of file symmetries_finite.c.

◆ __bswap_32()

static __inline __uint32_t __bswap_32 ( __uint32_t  __bsx)
static

Definition at line 1917 of file symmetries_finite.c.

◆ __bswap_64()

static __extension__ __inline __uint64_t __bswap_64 ( __uint64_t  __bsx)
static

Definition at line 1927 of file symmetries_finite.c.

◆ __uint16_identity()

static __inline __uint16_t __uint16_identity ( __uint16_t  __x)
static

Definition at line 1939 of file symmetries_finite.c.

◆ __uint32_identity()

static __inline __uint32_t __uint32_identity ( __uint32_t  __x)
static

Definition at line 1945 of file symmetries_finite.c.

◆ __uint64_identity()

static __inline __uint64_t __uint64_identity ( __uint64_t  __x)
static

Definition at line 1951 of file symmetries_finite.c.

◆ select()

int select ( int  __nfds,
fd_set *__restrict  __readfds,
fd_set *__restrict  __writefds,
fd_set *__restrict  __exceptfds,
struct timeval *__restrict  __timeout 
)

◆ pselect()

int pselect ( int  __nfds,
fd_set *__restrict  __readfds,
fd_set *__restrict  __writefds,
fd_set *__restrict  __exceptfds,
const struct timespec *__restrict  __timeout,
const __sigset_t *__restrict  __sigmask 
)

◆ random()

long int random ( void  )

Definition at line 2294 of file symmetries_finite.c.

◆ random_r()

int random_r ( struct random_data *__restrict  __buf,
int32_t *__restrict  __result 
)

◆ __attribute__() [5/7]

int __leaf__ __attribute__ ( (__nonnull__(1, 2))  )

◆ srandom_r()

int srandom_r ( unsigned int  __seed,
struct random_data *  __buf 
)

◆ initstate_r()

int initstate_r ( unsigned int  __seed,
char *__restrict  __statebuf,
size_t  __statelen,
struct random_data *__restrict  __buf 
)

◆ __attribute__() [6/7]

int __leaf__ __attribute__ ( (__nonnull__(2, 4))  )

◆ setstate_r()

int setstate_r ( char *__restrict  __statebuf,
struct random_data *__restrict  __buf 
)

◆ rand()

int rand ( void  )

Definition at line 2346 of file symmetries_finite.c.

◆ drand48_r()

int drand48_r ( struct drand48_data *__restrict  __buffer,
double *__restrict  __result 
)

◆ erand48_r()

int erand48_r ( unsigned short int  __xsubi[3],
struct drand48_data *__restrict  __buffer,
double *__restrict  __result 
)

◆ lrand48_r()

int lrand48_r ( struct drand48_data *__restrict  __buffer,
long int *__restrict  __result 
)

◆ nrand48_r()

int nrand48_r ( unsigned short int  __xsubi[3],
struct drand48_data *__restrict  __buffer,
long int *__restrict  __result 
)

◆ mrand48_r()

int mrand48_r ( struct drand48_data *__restrict  __buffer,
long int *__restrict  __result 
)

◆ jrand48_r()

int jrand48_r ( unsigned short int  __xsubi[3],
struct drand48_data *__restrict  __buffer,
long int *__restrict  __result 
)

◆ srand48_r()

int srand48_r ( long int  __seedval,
struct drand48_data *  __buffer 
)

◆ seed48_r()

int seed48_r ( unsigned short int  __seed16v[3],
struct drand48_data *  __buffer 
)

◆ lcong48_r()

int lcong48_r ( unsigned short int  __param[7],
struct drand48_data *  __buffer 
)

◆ malloc()

void * malloc ( size_t  __size)

◆ strcoll_l()

int strcoll_l ( const char *  __s1,
const char *  __s2,
locale_t  __l 
)

◆ __attribute__() [7/7]

int __leaf__ __attribute__ ( (__pure__)  )

Definition at line 2807 of file symmetries_finite.c.

◆ true()

int true ( void  )

Definition at line 3103 of file symmetries_finite.c.

◆ pow2()

double pow2 ( double  x)

Definition at line 3175 of file symmetries_finite.c.

◆ establish_pairs()

int establish_pairs ( SYMMETRY_ELEMENT elem)

Definition at line 3177 of file symmetries_finite.c.

◆ check_transform_order()

int check_transform_order ( SYMMETRY_ELEMENT elem)

Definition at line 3242 of file symmetries_finite.c.

◆ same_transform()

int same_transform ( SYMMETRY_ELEMENT a,
SYMMETRY_ELEMENT b 
)

Definition at line 3285 of file symmetries_finite.c.

◆ alloc_symmetry_element()

SYMMETRY_ELEMENT * alloc_symmetry_element ( void  )

Definition at line 3310 of file symmetries_finite.c.

◆ destroy_symmetry_element()

void destroy_symmetry_element ( SYMMETRY_ELEMENT elem)

Definition at line 3354 of file symmetries_finite.c.

◆ check_transform_quality()

int check_transform_quality ( SYMMETRY_ELEMENT elem)

Definition at line 3370 of file symmetries_finite.c.

◆ eval_optimization_target_function()

double eval_optimization_target_function ( SYMMETRY_ELEMENT elem,
int *  finish 
)

Definition at line 3395 of file symmetries_finite.c.

◆ get_params()

void get_params ( SYMMETRY_ELEMENT elem,
double  values[] 
)

Definition at line 3470 of file symmetries_finite.c.

◆ set_params()

void set_params ( SYMMETRY_ELEMENT elem,
double  values[] 
)

Definition at line 3474 of file symmetries_finite.c.

◆ optimize_transformation_params()

void optimize_transformation_params ( SYMMETRY_ELEMENT elem)

Definition at line 3478 of file symmetries_finite.c.

◆ refine_symmetry_element()

int refine_symmetry_element ( SYMMETRY_ELEMENT elem,
int  build_table 
)

Definition at line 3640 of file symmetries_finite.c.

◆ mirror_atom()

void mirror_atom ( SYMMETRY_ELEMENT plane,
ATOM from,
ATOM to 
)

Definition at line 3705 of file symmetries_finite.c.

◆ init_mirror_plane()

SYMMETRY_ELEMENT * init_mirror_plane ( int  i,
int  j 
)

Definition at line 3718 of file symmetries_finite.c.

◆ init_ultimate_plane()

SYMMETRY_ELEMENT * init_ultimate_plane ( void  )

Definition at line 3773 of file symmetries_finite.c.

◆ invert_atom()

void invert_atom ( SYMMETRY_ELEMENT center,
ATOM from,
ATOM to 
)

Definition at line 3878 of file symmetries_finite.c.

◆ init_inversion_center()

SYMMETRY_ELEMENT * init_inversion_center ( void  )

Definition at line 3887 of file symmetries_finite.c.

◆ rotate_atom()

void rotate_atom ( SYMMETRY_ELEMENT axis,
ATOM from,
ATOM to 
)

Definition at line 3928 of file symmetries_finite.c.

◆ init_ultimate_axis()

SYMMETRY_ELEMENT * init_ultimate_axis ( void  )

Definition at line 3970 of file symmetries_finite.c.

◆ init_c2_axis()

SYMMETRY_ELEMENT * init_c2_axis ( int  i,
int  j,
double  support[3] 
)

Definition at line 4033 of file symmetries_finite.c.

◆ init_axis_parameters()

SYMMETRY_ELEMENT * init_axis_parameters ( double  a[3],
double  b[3],
double  c[3] 
)

Definition at line 4129 of file symmetries_finite.c.

◆ init_higher_axis()

SYMMETRY_ELEMENT * init_higher_axis ( int  ia,
int  ib,
int  ic 
)

Definition at line 4276 of file symmetries_finite.c.

◆ rotate_reflect_atom()

void rotate_reflect_atom ( SYMMETRY_ELEMENT axis,
ATOM from,
ATOM to 
)

Definition at line 4322 of file symmetries_finite.c.

◆ init_improper_axis()

SYMMETRY_ELEMENT * init_improper_axis ( int  ia,
int  ib,
int  ic 
)

Definition at line 4364 of file symmetries_finite.c.

◆ find_center_of_something()

void find_center_of_something ( void  )

Definition at line 4434 of file symmetries_finite.c.

◆ find_planes()

void find_planes ( void  )

Definition at line 4474 of file symmetries_finite.c.

◆ destroy_planes()

void destroy_planes ( void  )

Definition at line 4536 of file symmetries_finite.c.

◆ find_inversion_centers()

void find_inversion_centers ( void  )

Definition at line 4554 of file symmetries_finite.c.

◆ destroy_inversion_centers()

void destroy_inversion_centers ( void  )

Definition at line 4569 of file symmetries_finite.c.

◆ find_infinity_axis()

void find_infinity_axis ( void  )

Definition at line 4582 of file symmetries_finite.c.

◆ find_c2_axes()

void find_c2_axes ( void  )

Definition at line 4609 of file symmetries_finite.c.

◆ destroy_normal_axes()

void destroy_normal_axes ( )

Definition at line 4747 of file symmetries_finite.c.

◆ destroy_improper_axes()

void destroy_improper_axes ( )

Definition at line 4760 of file symmetries_finite.c.

◆ find_higher_axes()

void find_higher_axes ( void  )

Definition at line 4773 of file symmetries_finite.c.

◆ find_improper_axes()

void find_improper_axes ( void  )

Definition at line 4819 of file symmetries_finite.c.

◆ report_planes()

void report_planes ( void  )

Definition at line 4853 of file symmetries_finite.c.

◆ report_inversion_centers()

void report_inversion_centers ( void  )

Definition at line 4874 of file symmetries_finite.c.

◆ report_axes()

void report_axes ( void  )

Definition at line 4888 of file symmetries_finite.c.

◆ report_improper_axes()

void report_improper_axes ( void  )

Definition at line 4916 of file symmetries_finite.c.

◆ report_and_reset_counters()

void report_and_reset_counters ( void  )

Definition at line 4947 of file symmetries_finite.c.

◆ find_symmetry_elements()

void find_symmetry_elements ( void  )

Definition at line 4961 of file symmetries_finite.c.

◆ compare_axes()

int compare_axes ( const void *  a,
const void *  b 
)

Definition at line 4997 of file symmetries_finite.c.

◆ sort_symmetry_elements()

void sort_symmetry_elements ( void  )

Definition at line 5017 of file symmetries_finite.c.

◆ report_symmetry_elements_verbose()

void report_symmetry_elements_verbose ( void  )

Definition at line 5031 of file symmetries_finite.c.

◆ summarize_symmetry_elements()

void summarize_symmetry_elements ( void  )

Definition at line 5038 of file symmetries_finite.c.

◆ report_symmetry_elements_brief()

void report_symmetry_elements_brief ( )

Definition at line 5049 of file symmetries_finite.c.

◆ identify_point_group()

void identify_point_group ( int *  point_group)

Definition at line 5121 of file symmetries_finite.c.

◆ FC_FUNC_() [1/4]

void FC_FUNC_ ( symmetries_finite_init  ,
SYMMETRIES_FINITE_INIT   
) const

Definition at line 5165 of file symmetries_finite.c.

◆ FC_FUNC_() [2/4]

void FC_FUNC_ ( symmetries_finite_get_group_name  ,
SYMMETRIES_FINITE_GET_GROUP_NAME   
) const

Definition at line 5199 of file symmetries_finite.c.

◆ FC_FUNC_() [3/4]

void FC_FUNC_ ( symmetries_finite_get_group_elements  ,
SYMMETRIES_FINITE_GET_GROUP_ELEMENTS   
) const

Definition at line 5206 of file symmetries_finite.c.

◆ FC_FUNC_() [4/4]

void FC_FUNC_ ( symmetries_finite_end  ,
SYMMETRIES_FINITE_END   
)

Definition at line 5213 of file symmetries_finite.c.

Variable Documentation

◆ __leaf__

void __leaf__

Definition at line 222 of file symmetries_finite.c.

◆ stdin

FILE* stdin
extern

◆ stdout

FILE* stdout
extern

◆ stderr

FILE* stderr
extern

◆ sys_nerr

int sys_nerr
extern

◆ sys_errlist

const char* const sys_errlist[]
extern

◆ ATOM

ATOM

Definition at line 3002 of file symmetries_finite.c.

◆ ToleranceSame

double ToleranceSame = 1e-3
static

Definition at line 3021 of file symmetries_finite.c.

◆ TolerancePrimary

double TolerancePrimary = 5e-2
static

Definition at line 3022 of file symmetries_finite.c.

◆ ToleranceFinal

double ToleranceFinal = 1e-4
static

Definition at line 3023 of file symmetries_finite.c.

◆ MaxOptStep

double MaxOptStep = 5e-1
static

Definition at line 3024 of file symmetries_finite.c.

◆ MinOptStep

double MinOptStep = 1e-7
static

Definition at line 3025 of file symmetries_finite.c.

◆ GradientStep

double GradientStep = 1e-7
static

Definition at line 3026 of file symmetries_finite.c.

◆ OptChangeThreshold

double OptChangeThreshold = 1e-10
static

Definition at line 3027 of file symmetries_finite.c.

◆ CenterOfSomething

double CenterOfSomething[3]
static

Definition at line 3028 of file symmetries_finite.c.

◆ DistanceFromCenter

double* DistanceFromCenter
static
Initial value:
=
((void *)0)

Definition at line 3029 of file symmetries_finite.c.

◆ verbose

int verbose = 0
static

Definition at line 3034 of file symmetries_finite.c.

◆ MaxOptCycles

int MaxOptCycles = 200
static

Definition at line 3035 of file symmetries_finite.c.

◆ OptChangeHits

int OptChangeHits = 5
static

Definition at line 3036 of file symmetries_finite.c.

◆ MaxAxisOrder

int MaxAxisOrder = 20
static

Definition at line 3037 of file symmetries_finite.c.

◆ AtomsCount

int AtomsCount = 0
static

Definition at line 3038 of file symmetries_finite.c.

◆ Atoms

ATOM* Atoms
static
Initial value:
=
((void *)0)

Definition at line 3039 of file symmetries_finite.c.

◆ PlanesCount

int PlanesCount = 0
static

Definition at line 3044 of file symmetries_finite.c.

◆ Planes

SYMMETRY_ELEMENT** Planes
static
Initial value:
=
((void *)0)

Definition at line 3045 of file symmetries_finite.c.

◆ MolecularPlane

SYMMETRY_ELEMENT* MolecularPlane
static
Initial value:
=
((void *)0)

Definition at line 3050 of file symmetries_finite.c.

◆ InversionCentersCount

int InversionCentersCount = 0
static

Definition at line 3055 of file symmetries_finite.c.

◆ InversionCenters

SYMMETRY_ELEMENT** InversionCenters
static
Initial value:
=
((void *)0)

Definition at line 3056 of file symmetries_finite.c.

◆ NormalAxesCount

int NormalAxesCount = 0
static

Definition at line 3061 of file symmetries_finite.c.

◆ NormalAxes

SYMMETRY_ELEMENT** NormalAxes
static
Initial value:
=
((void *)0)

Definition at line 3062 of file symmetries_finite.c.

◆ ImproperAxesCount

int ImproperAxesCount = 0
static

Definition at line 3067 of file symmetries_finite.c.

◆ ImproperAxes

SYMMETRY_ELEMENT** ImproperAxes
static
Initial value:
=
((void *)0)

Definition at line 3068 of file symmetries_finite.c.

◆ NormalAxesCounts

int* NormalAxesCounts
static
Initial value:
=
((void *)0)

Definition at line 3073 of file symmetries_finite.c.

◆ ImproperAxesCounts

int* ImproperAxesCounts
static
Initial value:
=
((void *)0)

Definition at line 3078 of file symmetries_finite.c.

◆ BadOptimization

int BadOptimization = 0
static

Definition at line 3083 of file symmetries_finite.c.

◆ SymmetryCode

char* SymmetryCode
static
Initial value:
=
((void *)0)

Definition at line 3084 of file symmetries_finite.c.

◆ StatTotal

long StatTotal = 0
static

Definition at line 3092 of file symmetries_finite.c.

◆ StatEarly

long StatEarly = 0
static

Definition at line 3093 of file symmetries_finite.c.

◆ StatPairs

long StatPairs = 0
static

Definition at line 3094 of file symmetries_finite.c.

◆ StatDups

long StatDups = 0
static

Definition at line 3095 of file symmetries_finite.c.

◆ StatOrder

long StatOrder = 0
static

Definition at line 3096 of file symmetries_finite.c.

◆ StatOpt

long StatOpt = 0
static

Definition at line 3097 of file symmetries_finite.c.

◆ StatAccept

long StatAccept = 0
static

Definition at line 3098 of file symmetries_finite.c.

◆ PointGroups

POINT_GROUP PointGroups[]

Definition at line 3104 of file symmetries_finite.c.

◆ PointGroupRejectionReason

char* PointGroupRejectionReason
Initial value:
=
((void *)0)

Definition at line 3165 of file symmetries_finite.c.