38 #ifndef MM_LIMIT_TABLE_HEADER 39 #define MM_LIMIT_TABLE_HEADER 63 const ergo_real* maxMomentVectorNormList1,
65 const ergo_real* maxMomentVectorNormList2,
69 int maxDegreeForDistrs,
70 const ergo_real* maxMomentVectorNormForDistrsList,
75 void write_to_buffer (
char * dataBuffer,
size_t const bufferSize )
const;
interaction_matrix_limit_range_struct rangeList[NO_OF_RANGES]
Definition: mm_limit_table.h:73
double ergo_real
Definition: realtype.h:69
ergo_real startDistance
Definition: mm_limit_table.h:52
This file contains preparatory stuff for computing multipole moments and related things.
MMLimitTable()
Definition: mm_limit_table.cc:56
static ergo_real distance(const ergo_real *a, const ergo_real *b)
Coomputes distance between two points, they do not need to be of the Vector3D type.
Definition: dft_common.cc:526
ergo_real step
Definition: mm_limit_table.h:54
Definition: mm_limit_table.h:46
Definition: mm_limit_table.h:51
Definition: multipole_prep.h:69
Definition of the main floating-point datatype used; the ergo_real type.
~MMLimitTable()
Definition: mm_limit_table.cc:61
#define MAX_MULTIPOLE_DEGREE_BASIC
Definition: multipole_prep.h:48
int noOfRangesUsed
Definition: mm_limit_table.h:72
void write_to_buffer(char *dataBuffer, size_t const bufferSize) const
Definition: mm_limit_table.cc:248
void inittt(const MultipolePrepManager &multipolePrep)
Definition: mm_limit_table.cc:65
static const int NO_OF_RANGES
Definition: mm_limit_table.h:50
void assign_from_buffer(char const *dataBuffer, size_t const bufferSize)
Definition: mm_limit_table.cc:259
Definition: multipole_prep.h:51
ergo_real get_max_abs_mm_contrib(int degree1, const ergo_real *maxMomentVectorNormList1, int degree2, const ergo_real *maxMomentVectorNormList2, ergo_real distance) const
Definition: mm_limit_table.cc:196
ergo_real maxDistance
Definition: mm_limit_table.h:53
int get_minimum_multipole_degree_needed(ergo_real distance, const multipole_struct_large *boxMultipole, int maxDegreeForDistrs, const ergo_real *maxMomentVectorNormForDistrsList, ergo_real threshold) const
Definition: mm_limit_table.cc:220
static const int NO_OF_STEPS_PER_RANGE
Definition: mm_limit_table.h:49
const interaction_matrix_limit_struct & get_x_from_distance(ergo_real distance) const
Definition: mm_limit_table.cc:171
size_t get_size() const
Definition: mm_limit_table.cc:255
#define MAX_MULTIPOLE_DEGREE
Definition: multipole_prep.h:45
Definition: mm_limit_table.h:45