ViewVC Help

View File | Revision Log | Show Annotations | View Changeset | Root Listing

root/OpenMD/trunk/src/math/Vector.hpp

Comparing trunk/src/math/Vector.hpp (file contents):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

#	Line 35 | Line 35
35		*
36		* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37		* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38	<	* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	<	* [4]  Vardeman & Gezelter, in progress (2009).
38	>	* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
39	>	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	>	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43		/**
#	Line 72 | Line 73 | namespace OpenMD {
73		inline bool equal(RealType e1, RealType e2) {
74		return fabs(e1 - e2) < epsilon;
75		}
75	–
76
77		/**
78		* @class Vector Vector.hpp "math/Vector.hpp"
#	Line 107 | Line 107 | namespace OpenMD {
107		return *this;
108		}
109
110	<	template<typename T>
111	<	inline Vector(const T& s){
110	>	// template<typename T>
111	>	// inline Vector(const T& s){
112	>	inline Vector(const Real& s) {
113		for (unsigned int i = 0; i < Dim; i++)
114	<	this->data_[i] = s;
114	>	this->data_[i] = s;
115		}
116
117		/** Constructs and initializes a Vector from an array */
#	Line 195 | Line 196 | namespace OpenMD {
196		inline bool operator !=(const Vector<Real, Dim>& v) {
197		return !(*this == v);
198		}
199	+
200	+	/** Zeros out the values in this vector in place */
201	+	inline void zero() {
202	+	for (unsigned int i = 0; i < Dim; i++)
203	+	this->data_[i] = 0;
204	+	}
205
206		/** Negates the value of this vector in place. */
207		inline void negate() {
#	Line 268 | Line 275 | namespace OpenMD {
275		inline void mul( const Vector<Real, Dim>& v1, Real s) {
276		for (unsigned int i = 0; i < Dim; i++)
277		this->data_[i] = s * v1.data_[i];
278	+	}
279	+
280	+	/**
281	+	* Sets the elements of this vector to the multiplication of
282	+	* elements of two other vectors.  Not to be confused with scalar
283	+	* multiplication (mul) or dot products.
284	+	*
285	+	* (*this.data_[i] =  v1.data_[i] * v2.data_[i]).
286	+	* @param v1 the first vector
287	+	* @param v2 the second vector
288	+	*/
289	+	inline void Vmul( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
290	+	for (unsigned int i = 0; i < Dim; i++)
291	+	this->data_[i] = v1.data_[i] * v2.data_[i];
292		}
293
294	+	/* replaces the elements with the absolute values of those elements */
295	+	inline Vector<Real, Dim>& abs() {
296	+	for (unsigned int i = 0; i < Dim; i++) {
297	+	this->data_[i] = std::abs(this->data_[i]);
298	+	}
299	+	return *this;
300	+	}
301	+
302	+	/* returns the maximum value in this vector */
303	+	inline Real max() {
304	+	Real val = this->data_[0];
305	+	for (unsigned int i = 0; i < Dim; i++) {
306	+	if (this->data_[i] > val) val = this->data_[i];
307	+	}
308	+	return val;
309	+	}
310	+
311		/**
312		* Sets the value of this vector to the scalar division of itself  (*this /= s ).
313		* @param s the scalar value
#	Line 289 | Line 327 | namespace OpenMD {
327		this->data_[i] = v1.data_[i] / s;
328		}
329
330	+	/**
331	+	* Sets the elements of this vector to the division of
332	+	* elements of two other vectors.  Not to be confused with scalar
333	+	* division (div)
334	+	*
335	+	* (*this.data_[i] =  v1.data_[i] / v2.data_[i]).
336	+	* @param v1 the first vector
337	+	* @param v2 the second vector
338	+	*/
339	+	inline void Vdiv( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
340	+	for (unsigned int i = 0; i < Dim; i++)
341	+	this->data_[i] = v1.data_[i] / v2.data_[i];
342	+	}
343	+
344	+
345		/** @see #add */
346		inline Vector<Real, Dim>& operator +=( const Vector<Real, Dim>& v1 ) {
347		add(v1);
#	Line 324 | Line 377 | namespace OpenMD {
377		tmp += this->data_[i];
378		return tmp;
379		}
380	+
381	+	/**
382	+	* Returns the product of all elements of this vector.
383	+	* @return the product of all elements of this vector
384	+	*/
385	+	inline Real componentProduct() {
386	+	Real tmp;
387	+	tmp = 1;
388	+	for (unsigned int i = 0; i < Dim; i++)
389	+	tmp *= this->data_[i];
390	+	return tmp;
391	+	}
392
393		/**
394		* Returns the length of this vector.
#	Line 458 | Line 523 | namespace OpenMD {
523		return tmp;
524		}
525
526	+
527	+
528	+
529		/**
530	+	* Returns the wide dot product of three Vectors.  Compare with
531	+	* Rapaport's VWDot function.
532	+	*
533	+	* @param v1 first vector
534	+	* @param v2 second vector
535	+	* @param v3 third vector
536	+	* @return the wide dot product of v1, v2, and v3.
537	+	*/
538	+	template<typename Real, unsigned int Dim>
539	+	inline Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2, const Vector<Real, Dim>& v3 ) {
540	+	Real tmp;
541	+	tmp = 0;
542	+
543	+	for (unsigned int i = 0; i < Dim; i++)
544	+	tmp += v1[i] * v2[i] * v3[i];
545	+
546	+	return tmp;
547	+	}
548	+
549	+
550	+	/**
551		* Returns the distance between  two Vectors
552		* @param v1 first vector
553		* @param v2 second vector

Comparing trunk/src/math/Vector.hpp (property svn:keywords):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1879 by gezelter, Sun Jun 16 15:15:42 2013 UTC

#	Line 0 | Line 1
1	+	Author Id Revision Date

Diff Legend

–	Removed lines
+	Added lines
<	Changed lines
>	Changed lines