mirror of https://github.com/phonopy/phonopy.git
24 lines
545 B
C
24 lines
545 B
C
/* primitive.h */
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/* Copyright (C) 2008 Atsushi Togo */
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#ifndef __primitive_H__
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#define __primitive_H__
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#include "symmetry.h"
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#include "cell.h"
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#include "mathfunc.h"
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typedef struct {
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Cell *cell;
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VecDBL *pure_trans;
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int * mapping_table;
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int size;
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double tolerance;
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} Primitive;
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Primitive * prm_alloc_primitive(const int size);
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void prm_free_primitive(Primitive * primitive);
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Cell * prm_get_primitive_cell(SPGCONST Cell * cell, const double symprec);
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Primitive * prm_get_primitive(SPGCONST Cell * cell, const double symprec);
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#endif
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