/usr/include/libmints/vector.h is in libpsi3-dev 3.4.0-6+b1.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 | #ifndef _psi_src_lib_libmints_vector_h
#define _psi_src_lib_libmints_vector_h
/*!
\file libmints/vector.h
\ingroup MINTS
*/
#include <cstdlib>
#include <cstdio>
#include <libmints/ref.h>
namespace psi {
class Vector {
protected:
/// Vector data
double **vector_;
/// Number of irreps
int nirreps_;
/// Dimensions per irrep
int *dimpi_;
/// Allocates vector_
void alloc();
/// Releases vector_
void release();
/// Copies data to vector_
void copy_from(double **);
public:
/// Default constructor, zeros everything out
Vector();
/// Copy constructor
Vector(const Vector& copy);
/// Constructor, allocates memory
Vector(int nirreps, int *dimpi);
/// Destructor, frees memory
~Vector();
/// Sets the vector_ to the data in vec
void set(double *vec);
/// Returns a single element value
double get(int h, int m) {
return vector_[h][m];
}
/// Sets a single element value
void set(int h, int m, double val) {
vector_[h][m] = val;
}
/// Returns a copy of the vector_
double *to_block_vector();
/// Returns the dimension array
int *dimpi() const {
return dimpi_;
}
/// Returns the number of irreps
int nirreps() const {
return nirreps_;
}
/// Prints the vector
void print(FILE *);
/// Copies rhs to this
void copy(const Vector* rhs);
friend class Matrix;
};
class RefVector : public Ref< Vector >{
public:
RefVector();
RefVector(Vector* o);
RefVector(const RefVector& o);
void set(double *vec);
double get(int h, int m) {
return pointer()->get(h, m);
}
void set(int h, int m, double val) {
pointer()->set(h, m, val);
}
double* to_block_vector() {
return pointer()->to_block_vector();
}
int *dimpi() {
return pointer()->dimpi();
}
int nirreps() {
return pointer()->nirreps();
}
void print(FILE *out) {
pointer()->print(out);
}
void copy(const RefVector& rhs) {
pointer()->copy(rhs.pointer());
}
};
class SimpleVector
{
protected:
/// Vector data
double *vector_;
/// Dimension of the vector
int dim_;
/// Allocate memory
void alloc();
/// Free memory
void release();
/// Copy data to this
void copy_from(double *);
public:
/// Default constructor, zeroes everything out
SimpleVector();
/// Copy constructor
SimpleVector(const SimpleVector& copy);
/// Constructor, creates the vector
SimpleVector(int dim);
/// Destructor, frees memory
~SimpleVector();
/// Set vector_ to vec
void set(double *vec);
/// Returns an element value
double get(int m) {
return vector_[m];
}
/// Sets an element value
void set(int m, double val) {
vector_[m] = val;
}
/// Returns a copy of vector_
double *to_block_vector();
/// Returns the dimension of the vector
int dim() const {
return dim_;
}
double& operator[](int i) { return vector_[i]; }
void operator=(const SimpleVector& x) {
for (int i=0; i<dim_; ++i)
vector_[i] = x.vector_[i];
}
/// Prints the vector
void print(FILE *);
/// Copy rhs to this
void copy(const SimpleVector* rhs);
friend class SimpleMatrix;
};
class RefSimpleVector : public Ref< SimpleVector >
{
public:
RefSimpleVector();
RefSimpleVector(SimpleVector* o);
RefSimpleVector(const RefSimpleVector& o);
void set(double *vec);
double get(int m) {
return pointer()->get(m);
}
void set(int m, double val) {
pointer()->set(m, val);
}
double* to_block_vector() {
return pointer()->to_block_vector();
}
int dim() {
return pointer()->dim();
}
void print(FILE *out) {
pointer()->print(out);
}
void copy(const RefSimpleVector& rhs) {
pointer()->copy(rhs.pointer());
}
double& operator[](int i) { return (*pointer())[i]; }
};
}
#endif
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