CKNGlobal.h

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#pragma once

#define THROW_END_EXIT(EXCEPTION_NAME)  \
    throw EXCEPTION_NAME;               \
    return

#define FREE_MEM(pointer)\
if (NULL != pointer)\
    {\
    free(pointer); \
    pointer = NULL; \
    }

#define ALLOC_WITH_NULL_INIT(pointer, data_type, data_size)\
    pointer = NULL;\
    pointer = (data_type*)malloc(sizeof(data_type)*data_size);\
    if (NULL == pointer)\
    return bRtn

#define SHOW_SIMPLE_MSG(message)\
if (CKNMPIManager::IsRootRank())\
    CKNIPCCUtility::ShowMsg(message);


#define DO_NOT_CONVERGENCE_CHECKING         999999999 
#define MECHINE_ERROR                       0.0000000000000002 
#define GENERAL_TOLERANCE                   1e-7 
#define TOLERANE_M_10_9                     1e-9 
#define SELECTIVE_GENERAL_TOLERANCE         1e-12 
#define DO_ORTHGONAL_TOLERANCE              1e-2

#define ATOM_DEFAULT_INDEX                  -1 
#define ORBITALS                            10 

#define DEGENERATED_INDEX                   -1

#ifdef _WIN32
#define NOMINMAX                            
#endif //_WIN32

const unsigned long                         ERROR_MALLOC = 9999; 
const unsigned long                         ERROR_OUT_OF_RANGE = 9998; 
const unsigned long                         ERROR_WRONG_ORDER_OPERATION = 9997; 

#define UNITCELL_WRITING_BLOCK_SIZE         8 

#define GEO_OUTPUT_FILE_NAME                "GeometricConstructionResult" 

#define CALCULATION_SUCCESS                 0 
#define CAN_NOT_ALLOC_RANK                  1 
#define CAN_NOT_LOAD_METERIAL_PARAM         2 
#define CAN_NOT_LOAD_DIRECTION_INFO         3 
#define CAN_NOT_FIND_COMMAND_FILE           4 
#define NEED_TO_ADJUST_MPI_CONFIG           5 

#define PI_VALUE                            3.141592653589793238462643383279502884197169399375105820974944592307816406286 

#define THETA_DEGREE                        0
#define PHI_DEGREE                          1

#define ZB                                  "zb"
#define CUBIC                               "cubic"

#define NMAXDOMAIN                          10 
#define MAX_NEIGHBOR                        10

#define BOX_SHAPE                           1
#define CYLINDER_SHAPE                      2

#define EXIT_MPI_WAIT                       0
#define CHECK_EV_ORTH                       1
#define DO_ORTHGONAL                        2
#define SEND_BACK_EV                        3
#define NOT_SEND_BACK_EV                    4
#define SEND_EV_TO_MASTER                   5
#define CHECK_EV_ORTH_SIMPLE                6

#define COMMAND_SIZE                        4


enum AXIS_DEFINE { _X = 0, _Y, _Z }; 
enum MATERIAL_INDEX { ATOM_NUM_BASE = 0, Si = 1, Ga = 2, As = 4, GaAs = 6, In = 8, InAs = 12 }; 
#define MATERIAL_COUNT  4