Octopus
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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__ |
FILE * | tmpfile (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) |
FILE * | fopen (const char *__restrict __filename, const char *__restrict __modes) |
FILE * | freopen (const char *__restrict __filename, const char *__restrict __modes, FILE *__restrict __stream) |
FILE * | fdopen (int __fd, const char *__modes) __attribute__((__nothrow__ |
FILE * | fmemopen (void *__s, size_t __len, const char *__modes) __attribute__((__nothrow__ |
FILE * | open_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__ |
FILE * | popen (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_ELEMENT * | alloc_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_ELEMENT * | init_mirror_plane (int i, int j) |
SYMMETRY_ELEMENT * | init_ultimate_plane (void) |
void | invert_atom (SYMMETRY_ELEMENT *center, ATOM *from, ATOM *to) |
SYMMETRY_ELEMENT * | init_inversion_center (void) |
void | rotate_atom (SYMMETRY_ELEMENT *axis, ATOM *from, ATOM *to) |
SYMMETRY_ELEMENT * | init_ultimate_axis (void) |
SYMMETRY_ELEMENT * | init_c2_axis (int i, int j, double support[3]) |
SYMMETRY_ELEMENT * | init_axis_parameters (double a[3], double b[3], double c[3]) |
SYMMETRY_ELEMENT * | init_higher_axis (int ia, int ib, int ic) |
void | rotate_reflect_atom (SYMMETRY_ELEMENT *axis, ATOM *from, ATOM *to) |
SYMMETRY_ELEMENT * | init_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__ |
FILE * | stdin |
FILE * | stdout |
FILE * | stderr |
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 ATOM * | Atoms |
static int | PlanesCount = 0 |
static SYMMETRY_ELEMENT ** | Planes |
static SYMMETRY_ELEMENT * | MolecularPlane |
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 unsigned char __u_char |
Definition at line 51 of file symmetries_finite.c.
typedef unsigned short int __u_short |
Definition at line 52 of file symmetries_finite.c.
typedef unsigned int __u_int |
Definition at line 53 of file symmetries_finite.c.
typedef unsigned long int __u_long |
Definition at line 54 of file symmetries_finite.c.
typedef signed char __int8_t |
Definition at line 57 of file symmetries_finite.c.
typedef unsigned char __uint8_t |
Definition at line 58 of file symmetries_finite.c.
typedef signed short int __int16_t |
Definition at line 59 of file symmetries_finite.c.
typedef unsigned short int __uint16_t |
Definition at line 60 of file symmetries_finite.c.
typedef signed int __int32_t |
Definition at line 61 of file symmetries_finite.c.
typedef unsigned int __uint32_t |
Definition at line 62 of file symmetries_finite.c.
typedef signed long int __int64_t |
Definition at line 64 of file symmetries_finite.c.
typedef unsigned long int __uint64_t |
Definition at line 65 of file symmetries_finite.c.
typedef __int8_t __int_least8_t |
Definition at line 72 of file symmetries_finite.c.
typedef __uint8_t __uint_least8_t |
Definition at line 73 of file symmetries_finite.c.
typedef __int16_t __int_least16_t |
Definition at line 74 of file symmetries_finite.c.
typedef __uint16_t __uint_least16_t |
Definition at line 75 of file symmetries_finite.c.
typedef __int32_t __int_least32_t |
Definition at line 76 of file symmetries_finite.c.
typedef __uint32_t __uint_least32_t |
Definition at line 77 of file symmetries_finite.c.
typedef __int64_t __int_least64_t |
Definition at line 78 of file symmetries_finite.c.
typedef __uint64_t __uint_least64_t |
Definition at line 79 of file symmetries_finite.c.
typedef long int __quad_t |
Definition at line 83 of file symmetries_finite.c.
typedef unsigned long int __u_quad_t |
Definition at line 84 of file symmetries_finite.c.
typedef long int __intmax_t |
Definition at line 92 of file symmetries_finite.c.
typedef unsigned long int __uintmax_t |
Definition at line 93 of file symmetries_finite.c.
typedef unsigned long int __dev_t |
Definition at line 101 of file symmetries_finite.c.
typedef unsigned int __uid_t |
Definition at line 102 of file symmetries_finite.c.
typedef unsigned int __gid_t |
Definition at line 103 of file symmetries_finite.c.
typedef unsigned long int __ino_t |
Definition at line 104 of file symmetries_finite.c.
typedef unsigned long int __ino64_t |
Definition at line 105 of file symmetries_finite.c.
typedef unsigned int __mode_t |
Definition at line 106 of file symmetries_finite.c.
typedef unsigned long int __nlink_t |
Definition at line 107 of file symmetries_finite.c.
typedef long int __off_t |
Definition at line 108 of file symmetries_finite.c.
typedef long int __off64_t |
Definition at line 109 of file symmetries_finite.c.
typedef int __pid_t |
Definition at line 110 of file symmetries_finite.c.
typedef long int __clock_t |
Definition at line 112 of file symmetries_finite.c.
typedef unsigned long int __rlim_t |
Definition at line 113 of file symmetries_finite.c.
typedef unsigned long int __rlim64_t |
Definition at line 114 of file symmetries_finite.c.
typedef unsigned int __id_t |
Definition at line 115 of file symmetries_finite.c.
typedef long int __time_t |
Definition at line 116 of file symmetries_finite.c.
typedef unsigned int __useconds_t |
Definition at line 117 of file symmetries_finite.c.
typedef long int __suseconds_t |
Definition at line 118 of file symmetries_finite.c.
typedef int __daddr_t |
Definition at line 120 of file symmetries_finite.c.
typedef int __key_t |
Definition at line 121 of file symmetries_finite.c.
typedef int __clockid_t |
Definition at line 124 of file symmetries_finite.c.
typedef void* __timer_t |
Definition at line 127 of file symmetries_finite.c.
typedef long int __blksize_t |
Definition at line 130 of file symmetries_finite.c.
typedef long int __blkcnt_t |
Definition at line 135 of file symmetries_finite.c.
typedef long int __blkcnt64_t |
Definition at line 136 of file symmetries_finite.c.
typedef unsigned long int __fsblkcnt_t |
Definition at line 139 of file symmetries_finite.c.
typedef unsigned long int __fsblkcnt64_t |
Definition at line 140 of file symmetries_finite.c.
typedef unsigned long int __fsfilcnt_t |
Definition at line 143 of file symmetries_finite.c.
typedef unsigned long int __fsfilcnt64_t |
Definition at line 144 of file symmetries_finite.c.
typedef long int __fsword_t |
Definition at line 147 of file symmetries_finite.c.
typedef long int __ssize_t |
Definition at line 149 of file symmetries_finite.c.
typedef long int __syscall_slong_t |
Definition at line 152 of file symmetries_finite.c.
typedef unsigned long int __syscall_ulong_t |
Definition at line 154 of file symmetries_finite.c.
Definition at line 158 of file symmetries_finite.c.
typedef char* __caddr_t |
Definition at line 159 of file symmetries_finite.c.
typedef long int __intptr_t |
Definition at line 162 of file symmetries_finite.c.
typedef unsigned int __socklen_t |
Definition at line 165 of file symmetries_finite.c.
typedef int __sig_atomic_t |
Definition at line 170 of file symmetries_finite.c.
typedef float float_t |
Definition at line 193 of file symmetries_finite.c.
typedef double double_t |
Definition at line 194 of file symmetries_finite.c.
typedef long unsigned int size_t |
Definition at line 1067 of file symmetries_finite.c.
typedef __builtin_va_list __gnuc_va_list |
Definition at line 1073 of file symmetries_finite.c.
typedef struct _G_fpos64_t __fpos64_t |
Definition at line 1117 of file symmetries_finite.c.
Definition at line 1126 of file symmetries_finite.c.
typedef void _IO_lock_t |
Definition at line 1138 of file symmetries_finite.c.
typedef __gnuc_va_list va_list |
Definition at line 1197 of file symmetries_finite.c.
Definition at line 1199 of file symmetries_finite.c.
Definition at line 1201 of file symmetries_finite.c.
Definition at line 1208 of file symmetries_finite.c.
typedef int wchar_t |
Definition at line 1638 of file symmetries_finite.c.
typedef __sigset_t sigset_t |
Definition at line 1984 of file symmetries_finite.c.
typedef __suseconds_t suseconds_t |
Definition at line 2019 of file symmetries_finite.c.
typedef long int __fd_mask |
Definition at line 2025 of file symmetries_finite.c.
Definition at line 2045 of file symmetries_finite.c.
typedef __blksize_t blksize_t |
Definition at line 2067 of file symmetries_finite.c.
typedef __blkcnt_t blkcnt_t |
Definition at line 2074 of file symmetries_finite.c.
typedef __fsblkcnt_t fsblkcnt_t |
Definition at line 2078 of file symmetries_finite.c.
typedef __fsfilcnt_t fsfilcnt_t |
Definition at line 2082 of file symmetries_finite.c.
typedef struct __pthread_internal_list __pthread_list_t |
typedef struct __pthread_internal_slist __pthread_slist_t |
typedef unsigned long int pthread_t |
Definition at line 2191 of file symmetries_finite.c.
typedef unsigned int pthread_key_t |
Definition at line 2213 of file symmetries_finite.c.
typedef int pthread_once_t |
Definition at line 2217 of file symmetries_finite.c.
typedef union pthread_attr_t pthread_attr_t |
Definition at line 2226 of file symmetries_finite.c.
typedef volatile int pthread_spinlock_t |
Definition at line 2267 of file symmetries_finite.c.
typedef struct __locale_struct* __locale_t |
Definition at line 2799 of file symmetries_finite.c.
typedef __locale_t locale_t |
Definition at line 2802 of file symmetries_finite.c.
typedef struct _SYMMETRY_ELEMENT_ SYMMETRY_ELEMENT |
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.
int __fpclassify | ( | double | __value | ) |
int __leaf__ __attribute__ | ( | (__const__) | ) |
int __signbit | ( | double | __value | ) |
int __isinf | ( | double | __value | ) |
int __finite | ( | double | __value | ) |
int __isnan | ( | double | __value | ) |
int __iseqsig | ( | double | __x, |
double | __y | ||
) |
int __issignaling | ( | double | __value | ) |
double acos | ( | double | __x | ) |
double __acos | ( | double | __x | ) |
double asin | ( | double | __x | ) |
double __asin | ( | double | __x | ) |
double atan | ( | double | __x | ) |
double __atan | ( | double | __x | ) |
double atan2 | ( | double | __y, |
double | __x | ||
) |
double __atan2 | ( | double | __y, |
double | __x | ||
) |
double cos | ( | double | __x | ) |
double __cos | ( | double | __x | ) |
double sin | ( | double | __x | ) |
double __sin | ( | double | __x | ) |
double tan | ( | double | __x | ) |
double __tan | ( | double | __x | ) |
double cosh | ( | double | __x | ) |
double __cosh | ( | double | __x | ) |
double sinh | ( | double | __x | ) |
double __sinh | ( | double | __x | ) |
double tanh | ( | double | __x | ) |
double __tanh | ( | double | __x | ) |
double acosh | ( | double | __x | ) |
double __acosh | ( | double | __x | ) |
double asinh | ( | double | __x | ) |
double __asinh | ( | double | __x | ) |
double atanh | ( | double | __x | ) |
double __atanh | ( | double | __x | ) |
double exp | ( | double | __x | ) |
double __exp | ( | double | __x | ) |
double frexp | ( | double | __x, |
int * | __exponent | ||
) |
double __frexp | ( | double | __x, |
int * | __exponent | ||
) |
double ldexp | ( | double | __x, |
int | __exponent | ||
) |
double __ldexp | ( | double | __x, |
int | __exponent | ||
) |
double log | ( | double | __x | ) |
double __log | ( | double | __x | ) |
double log10 | ( | double | __x | ) |
double __log10 | ( | double | __x | ) |
double modf | ( | double | __x, |
double * | __iptr | ||
) |
double __modf | ( | double | __x, |
double * | __iptr | ||
) |
double __leaf__ __attribute__ | ( | (__nonnull__(2)) | ) |
double expm1 | ( | double | __x | ) |
double __expm1 | ( | double | __x | ) |
double log1p | ( | double | __x | ) |
double __log1p | ( | double | __x | ) |
double logb | ( | double | __x | ) |
double __logb | ( | double | __x | ) |
double exp2 | ( | double | __x | ) |
double __exp2 | ( | double | __x | ) |
double log2 | ( | double | __x | ) |
double __log2 | ( | double | __x | ) |
double pow | ( | double | __x, |
double | __y | ||
) |
double __pow | ( | double | __x, |
double | __y | ||
) |
double sqrt | ( | double | __x | ) |
double __sqrt | ( | double | __x | ) |
double hypot | ( | double | __x, |
double | __y | ||
) |
double __hypot | ( | double | __x, |
double | __y | ||
) |
double cbrt | ( | double | __x | ) |
double __cbrt | ( | double | __x | ) |
double ceil | ( | double | __x | ) |
double __ceil | ( | double | __x | ) |
double fabs | ( | double | __x | ) |
double __fabs | ( | double | __x | ) |
double floor | ( | double | __x | ) |
double __floor | ( | double | __x | ) |
double fmod | ( | double | __x, |
double | __y | ||
) |
double __fmod | ( | double | __x, |
double | __y | ||
) |
int isinf | ( | double | __value | ) |
int finite | ( | double | __value | ) |
double drem | ( | double | __x, |
double | __y | ||
) |
double __drem | ( | double | __x, |
double | __y | ||
) |
double significand | ( | double | __x | ) |
double __significand | ( | double | __x | ) |
double copysign | ( | double | __x, |
double | __y | ||
) |
double __copysign | ( | double | __x, |
double | __y | ||
) |
double nan | ( | const char * | __tagb | ) |
double __nan | ( | const char * | __tagb | ) |
int isnan | ( | double | __value | ) |
double j0 | ( | extern double lgamma_r ( | double | ) |
Definition at line 364 of file symmetries_finite.c.
int remove | ( | const char * | __filename | ) |
int rename | ( | const char * | __old, |
const char * | __new | ||
) |
int renameat | ( | int | __oldfd, |
const char * | __old, | ||
int | __newfd, | ||
const char * | __new | ||
) |
FILE * tmpfile | ( | void | ) |
Definition at line 1393 of file io_binary.c.
char * tmpnam | ( | char * | __s | ) |
char * tmpnam_r | ( | char * | __s | ) |
char * tempnam | ( | const char * | __dir, |
const char * | __pfx | ||
) |
char __leaf__ __attribute__ | ( | (__malloc__) | ) |
Definition at line 2432 of file symmetries_finite.c.
int fclose | ( | FILE * | __stream | ) |
int fflush | ( | FILE * | __stream | ) |
int fflush_unlocked | ( | FILE * | __stream | ) |
FILE * fopen | ( | const char *__restrict | __filename, |
const char *__restrict | __modes | ||
) |
FILE * freopen | ( | const char *__restrict | __filename, |
const char *__restrict | __modes, | ||
FILE *__restrict | __stream | ||
) |
FILE * fdopen | ( | int | __fd, |
const char * | __modes | ||
) |
void setbuf | ( | FILE *__restrict | __stream, |
char *__restrict | __buf | ||
) |
void setlinebuf | ( | FILE * | __stream | ) |
int fprintf | ( | FILE *__restrict | __stream, |
const char *__restrict | __format, | ||
... | |||
) |
int printf | ( | const char *__restrict | __format, |
... | |||
) |
int sprintf | ( | char *__restrict | __s, |
const char *__restrict | __format, | ||
... | |||
) |
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 | ||
) |
int snprintf | ( | char *__restrict | __s, |
size_t | __maxlen, | ||
const char *__restrict | __format, | ||
... | |||
) |
int int vsnprintf | ( | char *__restrict | __s, |
size_t | __maxlen, | ||
const char *__restrict | __format, | ||
__gnuc_va_list | __arg | ||
) |
int int int vdprintf | ( | int | __fd, |
const char *__restrict | __fmt, | ||
__gnuc_va_list | __arg | ||
) |
int int int int dprintf | ( | int | __fd, |
const char *__restrict | __fmt, | ||
... | |||
) |
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, | ||
... | |||
) |
int vfscanf | ( | FILE *__restrict | __s, |
const char *__restrict | __format, | ||
__gnuc_va_list | __arg | ||
) |
int int vscanf | ( | const char *__restrict | __format, |
__gnuc_va_list | __arg | ||
) |
int int int vsscanf | ( | const char *__restrict | __s, |
const char *__restrict | __format, | ||
__gnuc_va_list | __arg | ||
) |
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_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 | ) |
void clearerr | ( | FILE * | __stream | ) |
int feof | ( | FILE * | __stream | ) |
int ferror | ( | FILE * | __stream | ) |
void clearerr_unlocked | ( | FILE * | __stream | ) |
int feof_unlocked | ( | FILE * | __stream | ) |
int ferror_unlocked | ( | FILE * | __stream | ) |
void perror | ( | const char * | __s | ) |
int fileno | ( | FILE * | __stream | ) |
int fileno_unlocked | ( | FILE * | __stream | ) |
FILE * popen | ( | const char * | __command, |
const char * | __modes | ||
) |
int pclose | ( | FILE * | __stream | ) |
char * ctermid | ( | char * | __s | ) |
void flockfile | ( | FILE * | __stream | ) |
int ftrylockfile | ( | FILE * | __stream | ) |
void funlockfile | ( | FILE * | __stream | ) |
int __uflow | ( | FILE * | ) |
int __overflow | ( | FILE * | , |
int | |||
) |
size_t __ctype_get_mb_cur_max | ( | void | ) |
Definition at line 1683 of file symmetries_finite.c.
|
static |
Definition at line 1917 of file symmetries_finite.c.
|
static |
Definition at line 1927 of file symmetries_finite.c.
|
static |
Definition at line 1939 of file symmetries_finite.c.
|
static |
Definition at line 1945 of file symmetries_finite.c.
|
static |
Definition at line 1951 of file symmetries_finite.c.
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 | ) |
Definition at line 2294 of file symmetries_finite.c.
int random_r | ( | struct random_data *__restrict | __buf, |
int32_t *__restrict | __result | ||
) |
int __leaf__ __attribute__ | ( | (__nonnull__(1, 2)) | ) |
int srandom_r | ( | unsigned int | __seed, |
struct random_data * | __buf | ||
) |
int initstate_r | ( | unsigned int | __seed, |
char *__restrict | __statebuf, | ||
size_t | __statelen, | ||
struct random_data *__restrict | __buf | ||
) |
int __leaf__ __attribute__ | ( | (__nonnull__(2, 4)) | ) |
int setstate_r | ( | char *__restrict | __statebuf, |
struct random_data *__restrict | __buf | ||
) |
int rand | ( | void | ) |
Definition at line 2346 of file symmetries_finite.c.
int drand48_r | ( | struct drand48_data *__restrict | __buffer, |
double *__restrict | __result | ||
) |
int erand48_r | ( | unsigned short int | __xsubi[3], |
struct drand48_data *__restrict | __buffer, | ||
double *__restrict | __result | ||
) |
int lrand48_r | ( | struct drand48_data *__restrict | __buffer, |
long int *__restrict | __result | ||
) |
int nrand48_r | ( | unsigned short int | __xsubi[3], |
struct drand48_data *__restrict | __buffer, | ||
long int *__restrict | __result | ||
) |
int mrand48_r | ( | struct drand48_data *__restrict | __buffer, |
long int *__restrict | __result | ||
) |
int jrand48_r | ( | unsigned short int | __xsubi[3], |
struct drand48_data *__restrict | __buffer, | ||
long int *__restrict | __result | ||
) |
int srand48_r | ( | long int | __seedval, |
struct drand48_data * | __buffer | ||
) |
int seed48_r | ( | unsigned short int | __seed16v[3], |
struct drand48_data * | __buffer | ||
) |
int lcong48_r | ( | unsigned short int | __param[7], |
struct drand48_data * | __buffer | ||
) |
void * malloc | ( | size_t | __size | ) |
int strcoll_l | ( | const char * | __s1, |
const char * | __s2, | ||
locale_t | __l | ||
) |
int __leaf__ __attribute__ | ( | (__pure__) | ) |
Definition at line 2807 of file symmetries_finite.c.
int true | ( | void | ) |
Definition at line 3103 of file symmetries_finite.c.
double pow2 | ( | double | x | ) |
Definition at line 3175 of file symmetries_finite.c.
int establish_pairs | ( | SYMMETRY_ELEMENT * | elem | ) |
Definition at line 3177 of file symmetries_finite.c.
int check_transform_order | ( | SYMMETRY_ELEMENT * | elem | ) |
Definition at line 3242 of file symmetries_finite.c.
int same_transform | ( | SYMMETRY_ELEMENT * | a, |
SYMMETRY_ELEMENT * | b | ||
) |
Definition at line 3285 of file symmetries_finite.c.
SYMMETRY_ELEMENT * alloc_symmetry_element | ( | void | ) |
Definition at line 3310 of file symmetries_finite.c.
void destroy_symmetry_element | ( | SYMMETRY_ELEMENT * | elem | ) |
Definition at line 3354 of file symmetries_finite.c.
int check_transform_quality | ( | SYMMETRY_ELEMENT * | elem | ) |
Definition at line 3370 of file symmetries_finite.c.
double eval_optimization_target_function | ( | SYMMETRY_ELEMENT * | elem, |
int * | finish | ||
) |
Definition at line 3395 of file symmetries_finite.c.
void get_params | ( | SYMMETRY_ELEMENT * | elem, |
double | values[] | ||
) |
Definition at line 3470 of file symmetries_finite.c.
void set_params | ( | SYMMETRY_ELEMENT * | elem, |
double | values[] | ||
) |
Definition at line 3474 of file symmetries_finite.c.
void optimize_transformation_params | ( | SYMMETRY_ELEMENT * | elem | ) |
Definition at line 3478 of file symmetries_finite.c.
int refine_symmetry_element | ( | SYMMETRY_ELEMENT * | elem, |
int | build_table | ||
) |
Definition at line 3640 of file symmetries_finite.c.
void mirror_atom | ( | SYMMETRY_ELEMENT * | plane, |
ATOM * | from, | ||
ATOM * | to | ||
) |
Definition at line 3705 of file symmetries_finite.c.
SYMMETRY_ELEMENT * init_mirror_plane | ( | int | i, |
int | j | ||
) |
Definition at line 3718 of file symmetries_finite.c.
SYMMETRY_ELEMENT * init_ultimate_plane | ( | void | ) |
Definition at line 3773 of file symmetries_finite.c.
void invert_atom | ( | SYMMETRY_ELEMENT * | center, |
ATOM * | from, | ||
ATOM * | to | ||
) |
Definition at line 3878 of file symmetries_finite.c.
SYMMETRY_ELEMENT * init_inversion_center | ( | void | ) |
Definition at line 3887 of file symmetries_finite.c.
void rotate_atom | ( | SYMMETRY_ELEMENT * | axis, |
ATOM * | from, | ||
ATOM * | to | ||
) |
Definition at line 3928 of file symmetries_finite.c.
SYMMETRY_ELEMENT * init_ultimate_axis | ( | void | ) |
Definition at line 3970 of file symmetries_finite.c.
SYMMETRY_ELEMENT * init_c2_axis | ( | int | i, |
int | j, | ||
double | support[3] | ||
) |
Definition at line 4033 of file symmetries_finite.c.
SYMMETRY_ELEMENT * init_axis_parameters | ( | double | a[3], |
double | b[3], | ||
double | c[3] | ||
) |
Definition at line 4129 of file symmetries_finite.c.
SYMMETRY_ELEMENT * init_higher_axis | ( | int | ia, |
int | ib, | ||
int | ic | ||
) |
Definition at line 4276 of file symmetries_finite.c.
void rotate_reflect_atom | ( | SYMMETRY_ELEMENT * | axis, |
ATOM * | from, | ||
ATOM * | to | ||
) |
Definition at line 4322 of file symmetries_finite.c.
SYMMETRY_ELEMENT * init_improper_axis | ( | int | ia, |
int | ib, | ||
int | ic | ||
) |
Definition at line 4364 of file symmetries_finite.c.
void find_center_of_something | ( | void | ) |
Definition at line 4434 of file symmetries_finite.c.
void find_planes | ( | void | ) |
Definition at line 4474 of file symmetries_finite.c.
void destroy_planes | ( | void | ) |
Definition at line 4536 of file symmetries_finite.c.
void find_inversion_centers | ( | void | ) |
Definition at line 4554 of file symmetries_finite.c.
void destroy_inversion_centers | ( | void | ) |
Definition at line 4569 of file symmetries_finite.c.
void find_infinity_axis | ( | void | ) |
Definition at line 4582 of file symmetries_finite.c.
void find_c2_axes | ( | void | ) |
Definition at line 4609 of file symmetries_finite.c.
void destroy_normal_axes | ( | ) |
Definition at line 4747 of file symmetries_finite.c.
void destroy_improper_axes | ( | ) |
Definition at line 4760 of file symmetries_finite.c.
void find_higher_axes | ( | void | ) |
Definition at line 4773 of file symmetries_finite.c.
void find_improper_axes | ( | void | ) |
Definition at line 4819 of file symmetries_finite.c.
void report_planes | ( | void | ) |
Definition at line 4853 of file symmetries_finite.c.
void report_inversion_centers | ( | void | ) |
Definition at line 4874 of file symmetries_finite.c.
void report_axes | ( | void | ) |
Definition at line 4888 of file symmetries_finite.c.
void report_improper_axes | ( | void | ) |
Definition at line 4916 of file symmetries_finite.c.
void report_and_reset_counters | ( | void | ) |
Definition at line 4947 of file symmetries_finite.c.
void find_symmetry_elements | ( | void | ) |
Definition at line 4961 of file symmetries_finite.c.
int compare_axes | ( | const void * | a, |
const void * | b | ||
) |
Definition at line 4997 of file symmetries_finite.c.
void sort_symmetry_elements | ( | void | ) |
Definition at line 5017 of file symmetries_finite.c.
void report_symmetry_elements_verbose | ( | void | ) |
Definition at line 5031 of file symmetries_finite.c.
void summarize_symmetry_elements | ( | void | ) |
Definition at line 5038 of file symmetries_finite.c.
void report_symmetry_elements_brief | ( | ) |
Definition at line 5049 of file symmetries_finite.c.
void identify_point_group | ( | int * | point_group | ) |
Definition at line 5121 of file symmetries_finite.c.
void FC_FUNC_ | ( | symmetries_finite_init | , |
SYMMETRIES_FINITE_INIT | |||
) | const |
Definition at line 5165 of file symmetries_finite.c.
void FC_FUNC_ | ( | symmetries_finite_get_group_name | , |
SYMMETRIES_FINITE_GET_GROUP_NAME | |||
) | const |
Definition at line 5199 of file symmetries_finite.c.
void FC_FUNC_ | ( | symmetries_finite_get_group_elements | , |
SYMMETRIES_FINITE_GET_GROUP_ELEMENTS | |||
) | const |
Definition at line 5206 of file symmetries_finite.c.
void FC_FUNC_ | ( | symmetries_finite_end | , |
SYMMETRIES_FINITE_END | |||
) |
Definition at line 5213 of file symmetries_finite.c.
void __leaf__ |
Definition at line 222 of file symmetries_finite.c.
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ATOM |
Definition at line 3002 of file symmetries_finite.c.
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Definition at line 3021 of file symmetries_finite.c.
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Definition at line 3022 of file symmetries_finite.c.
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Definition at line 3023 of file symmetries_finite.c.
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Definition at line 3024 of file symmetries_finite.c.
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Definition at line 3025 of file symmetries_finite.c.
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Definition at line 3026 of file symmetries_finite.c.
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Definition at line 3027 of file symmetries_finite.c.
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Definition at line 3028 of file symmetries_finite.c.
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Definition at line 3029 of file symmetries_finite.c.
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Definition at line 3034 of file symmetries_finite.c.
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Definition at line 3035 of file symmetries_finite.c.
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Definition at line 3036 of file symmetries_finite.c.
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Definition at line 3037 of file symmetries_finite.c.
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Definition at line 3038 of file symmetries_finite.c.
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Definition at line 3039 of file symmetries_finite.c.
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Definition at line 3044 of file symmetries_finite.c.
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Definition at line 3045 of file symmetries_finite.c.
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Definition at line 3050 of file symmetries_finite.c.
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Definition at line 3055 of file symmetries_finite.c.
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Definition at line 3056 of file symmetries_finite.c.
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Definition at line 3061 of file symmetries_finite.c.
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Definition at line 3062 of file symmetries_finite.c.
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Definition at line 3067 of file symmetries_finite.c.
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Definition at line 3068 of file symmetries_finite.c.
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Definition at line 3073 of file symmetries_finite.c.
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Definition at line 3078 of file symmetries_finite.c.
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Definition at line 3083 of file symmetries_finite.c.
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Definition at line 3084 of file symmetries_finite.c.
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Definition at line 3092 of file symmetries_finite.c.
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Definition at line 3093 of file symmetries_finite.c.
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Definition at line 3094 of file symmetries_finite.c.
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Definition at line 3095 of file symmetries_finite.c.
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Definition at line 3096 of file symmetries_finite.c.
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Definition at line 3097 of file symmetries_finite.c.
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Definition at line 3098 of file symmetries_finite.c.
POINT_GROUP PointGroups[] |
Definition at line 3104 of file symmetries_finite.c.
char* PointGroupRejectionReason |
Definition at line 3165 of file symmetries_finite.c.