(git:e7e05ae)
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Data Structures | |
struct | orbital |
Orbital angular momentum. More... | |
Macros | |
#define | GRID_STRINGIFY(SYMBOL) #SYMBOL |
#define | GRID_PRAGMA_SIMD(OBJS, N) _Pragma(GRID_STRINGIFY(omp simd linear OBJS simdlen(N))) |
#define | GRID_PRAGMA_UNROLL(N) _Pragma(GRID_STRINGIFY(unroll(N))) |
#define | GRID_PRAGMA_UNROLL_UP_TO(N) _Pragma("unroll") |
#define | GRID_HOST_DEVICE |
Functions | |
static GRID_HOST_DEVICE double | fac (const int i) |
Factorial function, e.g. fac(5) = 5! = 120. More... | |
static GRID_HOST_DEVICE int | ncoset (const int l) |
Number of Cartesian orbitals up to given angular momentum quantum. More... | |
static GRID_HOST_DEVICE int | coset (int lx, int ly, int lz) |
Maps three angular momentum components to a single zero based index. More... | |
static GRID_HOST_DEVICE int | imin (int x, int y) |
Returns the smaller of two given integer (missing from the C standard) More... | |
static GRID_HOST_DEVICE int | imax (int x, int y) |
Returns the larger of two given integer (missing from the C standard) More... | |
static GRID_HOST_DEVICE int | modulo (int a, int m) |
Equivalent of Fortran's MODULO, which always return a positive number. https://gcc.gnu.org/onlinedocs/gfortran/MODULO.html. More... | |
static GRID_HOST_DEVICE orbital | up (const int i, const orbital a) |
Increase i'th component of given orbital angular momentum. More... | |
static GRID_HOST_DEVICE orbital | down (const int i, const orbital a) |
Decrease i'th component of given orbital angular momentum. More... | |
static GRID_HOST_DEVICE int | idx (const orbital a) |
Return coset index of given orbital angular momentum. More... | |
#define GRID_STRINGIFY | ( | SYMBOL | ) | #SYMBOL |
Definition at line 10 of file grid_common.h.
#define GRID_PRAGMA_SIMD | ( | OBJS, | |
N | |||
) | _Pragma(GRID_STRINGIFY(omp simd linear OBJS simdlen(N))) |
Definition at line 20 of file grid_common.h.
#define GRID_PRAGMA_UNROLL | ( | N | ) | _Pragma(GRID_STRINGIFY(unroll(N))) |
Definition at line 34 of file grid_common.h.
#define GRID_PRAGMA_UNROLL_UP_TO | ( | N | ) | _Pragma("unroll") |
Definition at line 35 of file grid_common.h.
#define GRID_HOST_DEVICE |
Definition at line 41 of file grid_common.h.
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inlinestatic |
Factorial function, e.g. fac(5) = 5! = 120.
Definition at line 48 of file grid_common.h.
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inlinestatic |
Number of Cartesian orbitals up to given angular momentum quantum.
Definition at line 73 of file grid_common.h.
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inlinestatic |
Maps three angular momentum components to a single zero based index.
Definition at line 87 of file grid_common.h.
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inlinestatic |
Returns the smaller of two given integer (missing from the C standard)
Definition at line 100 of file grid_common.h.
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inlinestatic |
Returns the larger of two given integer (missing from the C standard)
Definition at line 108 of file grid_common.h.
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inlinestatic |
Equivalent of Fortran's MODULO, which always return a positive number. https://gcc.gnu.org/onlinedocs/gfortran/MODULO.html.
Definition at line 117 of file grid_common.h.
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inlinestatic |
Increase i'th component of given orbital angular momentum.
Definition at line 133 of file grid_common.h.
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inlinestatic |
Decrease i'th component of given orbital angular momentum.
Definition at line 143 of file grid_common.h.
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inlinestatic |
Return coset index of given orbital angular momentum.
Definition at line 153 of file grid_common.h.