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Comparing trunk/src/math/Vector.hpp (file contents):
Revision 963 by tim, Wed May 17 21:51:42 2006 UTC vs.
Revision 1615 by gezelter, Fri Aug 26 17:55:44 2011 UTC

#	Line 6 | Line 6
6		* redistribute this software in source and binary code form, provided
7		* that the following conditions are met:
8		*
9	<	* 1. Acknowledgement of the program authors must be made in any
10	<	*    publication of scientific results based in part on use of the
11	<	*    program.  An acceptable form of acknowledgement is citation of
12	<	*    the article in which the program was described (Matthew
13	<	*    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14	<	*    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15	<	*    Parallel Simulation Engine for Molecular Dynamics,"
16	<	*    J. Comput. Chem. 26, pp. 252-271 (2005))
17	<	*
18	<	* 2. Redistributions of source code must retain the above copyright
9	>	* 1. Redistributions of source code must retain the above copyright
10		*    notice, this list of conditions and the following disclaimer.
11		*
12	<	* 3. Redistributions in binary form must reproduce the above copyright
12	>	* 2. Redistributions in binary form must reproduce the above copyright
13		*    notice, this list of conditions and the following disclaimer in the
14		*    documentation and/or other materials provided with the
15		*    distribution.
#	Line 37 | Line 28
28		* arising out of the use of or inability to use software, even if the
29		* University of Notre Dame has been advised of the possibility of
30		* such damages.
31	+	*
32	+	* SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33	+	* research, please cite the appropriate papers when you publish your
34	+	* work.  Good starting points are:
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).
40		*/
41
42		/**
#	Line 54 | Line 54
54		#include <iostream>
55		#include <math.h>
56		#include "config.h"
57	<	namespace oopse {
57	>	namespace OpenMD {
58
59		static const RealType epsilon = 0.000001;
60
#	Line 271 | Line 271 | namespace oopse {
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	+	/**
288		* Sets the value of this vector to the scalar division of itself  (*this /= s ).
289		* @param s the scalar value
290		*/
#	Line 289 | Line 303 | namespace oopse {
303		this->data_[i] = v1.data_[i] / s;
304		}
305
306	+	/**
307	+	* Sets the elements of this vector to the division of
308	+	* elements of two other vectors.  Not to be confused with scalar
309	+	* division (div)
310	+	*
311	+	* (*this.data_[i] =  v1.data_[i] / v2.data_[i]).
312	+	* @param v1 the first vector
313	+	* @param v2 the second vector
314	+	*/
315	+	inline void Vdiv( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2) {
316	+	for (unsigned int i = 0; i < Dim; i++)
317	+	this->data_[i] = v1.data_[i] / v2.data_[i];
318	+	}
319	+
320	+
321		/** @see #add */
322		inline Vector<Real, Dim>& operator +=( const Vector<Real, Dim>& v1 ) {
323		add(v1);
#	Line 314 | Line 343 | namespace oopse {
343		}
344
345		/**
346	+	* Returns the sum of all elements of this vector.
347	+	* @return the sum of all elements of this vector
348	+	*/
349	+	inline Real sum() {
350	+	Real tmp;
351	+	tmp = 0;
352	+	for (unsigned int i = 0; i < Dim; i++)
353	+	tmp += this->data_[i];
354	+	return tmp;
355	+	}
356	+
357	+	/**
358	+	* Returns the product of all elements of this vector.
359	+	* @return the product of all elements of this vector
360	+	*/
361	+	inline Real componentProduct() {
362	+	Real tmp;
363	+	tmp = 1;
364	+	for (unsigned int i = 0; i < Dim; i++)
365	+	tmp *= this->data_[i];
366	+	return tmp;
367	+	}
368	+
369	+	/**
370		* Returns the length of this vector.
371		* @return the length of this vector
372		*/
#	Line 335 | Line 388 | namespace oopse {
388
389		len = length();
390
391	<	//if (len < oopse:epsilon)
391	>	//if (len < OpenMD::NumericConstant::epsilon)
392		//  throw();
393
394		*this /= len;
#	Line 446 | Line 499 | namespace oopse {
499		return tmp;
500		}
501
502	+
503	+
504	+
505		/**
506	+	* Returns the wide dot product of three Vectors.  Compare with
507	+	* Rapaport's VWDot function.
508	+	*
509	+	* @param v1 first vector
510	+	* @param v2 second vector
511	+	* @param v3 third vector
512	+	* @return the wide dot product of v1, v2, and v3.
513	+	*/
514	+	template<typename Real, unsigned int Dim>
515	+	inline Real dot( const Vector<Real, Dim>& v1, const Vector<Real, Dim>& v2, const Vector<Real, Dim>& v3 ) {
516	+	Real tmp;
517	+	tmp = 0;
518	+
519	+	for (unsigned int i = 0; i < Dim; i++)
520	+	tmp += v1[i] * v2[i] * v3[i];
521	+
522	+	return tmp;
523	+	}
524	+
525	+
526	+	/**
527		* Returns the distance between  two Vectors
528		* @param v1 first vector
529		* @param v2 second vector

Comparing trunk/src/math/Vector.hpp (property svn:keywords):
Revision 963 by tim, Wed May 17 21:51:42 2006 UTC vs.
Revision 1615 by gezelter, Fri Aug 26 17:55:44 2011 UTC

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