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root/OpenMD/branches/development/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.
branches/development/src/math/Vector.hpp (file contents), Revision 1760 by gezelter, Thu Jun 21 19:26:46 2012 UTC

#	Line 36 | Line 36
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).
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 271 | Line 271 | namespace OpenMD {
271		}
272
273		/**
274	+	* Sets the elements of this vector to the multiplication of
275	+	* elements of two other vectors.  Not to be confused with scalar
276	+	* multiplication (mul) or dot products.
277	+	*
278	+	* (*this.data_[i] =  v1.data_[i] * v2.data_[i]).
279	+	* @param v1 the first vector
280	+	* @param v2 the second vector
281	+	*/
282	+	inline void Vmul( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
283	+	for (unsigned int i = 0; i < Dim; i++)
284	+	this->data_[i] = v1.data_[i] * v2.data_[i];
285	+	}
286	+
287	+	/* replaces the elements with the absolute values of those elements */
288	+	inline Vector<Real, Dim>& abs() {
289	+	for (unsigned int i = 0; i < Dim; i++) {
290	+	this->data_[i] = std::abs(this->data_[i]);
291	+	}
292	+	return *this;
293	+	}
294	+
295	+	/* returns the maximum value in this vector */
296	+	inline Real max() {
297	+	Real val = this->data_[0];
298	+	for (unsigned int i = 0; i < Dim; i++) {
299	+	if (this->data_[i] > val) val = this->data_[i];
300	+	}
301	+	return val;
302	+	}
303	+
304	+	/**
305		* Sets the value of this vector to the scalar division of itself  (*this /= s ).
306		* @param s the scalar value
307		*/
#	Line 287 | Line 318 | namespace OpenMD {
318		inline void div( const Vector<Real, Dim>& v1, Real s ) {
319		for (unsigned int i = 0; i < Dim; i++)
320		this->data_[i] = v1.data_[i] / s;
321	+	}
322	+
323	+	/**
324	+	* Sets the elements of this vector to the division of
325	+	* elements of two other vectors.  Not to be confused with scalar
326	+	* division (div)
327	+	*
328	+	* (*this.data_[i] =  v1.data_[i] / v2.data_[i]).
329	+	* @param v1 the first vector
330	+	* @param v2 the second vector
331	+	*/
332	+	inline void Vdiv( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
333	+	for (unsigned int i = 0; i < Dim; i++)
334	+	this->data_[i] = v1.data_[i] / v2.data_[i];
335		}
336
337	+
338		/** @see #add */
339		inline Vector<Real, Dim>& operator +=( const Vector<Real, Dim>& v1 ) {
340		add(v1);
#	Line 324 | Line 370 | namespace OpenMD {
370		tmp += this->data_[i];
371		return tmp;
372		}
373	+
374	+	/**
375	+	* Returns the product of all elements of this vector.
376	+	* @return the product of all elements of this vector
377	+	*/
378	+	inline Real componentProduct() {
379	+	Real tmp;
380	+	tmp = 1;
381	+	for (unsigned int i = 0; i < Dim; i++)
382	+	tmp *= this->data_[i];
383	+	return tmp;
384	+	}
385
386		/**
387		* Returns the length of this vector.
#	Line 458 | Line 516 | namespace OpenMD {
516		return tmp;
517		}
518
519	+
520	+
521	+
522		/**
523	+	* Returns the wide dot product of three Vectors.  Compare with
524	+	* Rapaport's VWDot function.
525	+	*
526	+	* @param v1 first vector
527	+	* @param v2 second vector
528	+	* @param v3 third vector
529	+	* @return the wide dot product of v1, v2, and v3.
530	+	*/
531	+	template<typename Real, unsigned int Dim>
532	+	inline Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2, const Vector<Real, Dim>& v3 ) {
533	+	Real tmp;
534	+	tmp = 0;
535	+
536	+	for (unsigned int i = 0; i < Dim; i++)
537	+	tmp += v1[i] * v2[i] * v3[i];
538	+
539	+	return tmp;
540	+	}
541	+
542	+
543	+	/**
544		* Returns the distance between  two Vectors
545		* @param v1 first vector
546		* @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.
branches/development/src/math/Vector.hpp (property svn:keywords), Revision 1760 by gezelter, Thu Jun 21 19:26:46 2012 UTC

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