[ViewVC] Diff of: group/trunk/OOPSE/libmdtools/SimState.cpp

Comparing trunk/OOPSE/libmdtools/SimState.cpp (file contents):
Revision 707 by mmeineke, Wed Aug 20 19:42:31 2003 UTC vs.
Revision 1452 by tim, Mon Aug 23 15:11:36 2004 UTC

#	Line 1 \| Line 1
1		#include <iostream>
2
3	<	#include <cstdlib>
4	<	#include <cstdio>
3	>	#include <stdlib.h>
4	>	#include <stdio.h>
5
6		#include "simError.h"
7		#include "SimState.hpp"
#	Line 56 \| Line 56 \| void SimState::createArrays (int the_nElements) {
56		Amat = new double[nElements*9];
57		mu = new double[nElements];
58		ul = new double[nElements*3];
59	+	quat = new double[nElements*4];
60
61		// init directional values to zero
62
#	Line 84 \| Line 85 \| void SimState::createArrays (int the_nElements) {
85		ul[index3+0] = 1.0;
86		ul[index3+1] = 0.0;
87		ul[index3+2] = 0.0;
88	+
89	+	quat[i*4] = 1.0;
90	+	quat[i*4+1] = 0.0;
91	+	quat[i*4+2] = 0.0;
92	+	quat[i*4+3] = 0.0;
93	+
94		}
95
96		arraysAllocated = true;
#	Line 106 \| Line 113 \| void SimState::destroyArrays( void ){
113		Amat = NULL;
114		mu = NULL;
115		ul = NULL;
116	+	quat = NULL;
117
118	+
119		arraysAllocated = false;
120		nElements = 0;
121		}
#	Line 118 \| Line 127 \| void SimState::getAtomPointers( int index,
127		double** the_trq,
128		double** the_Amat,
129		double** the_mu,
130	<	double** the_ul ){
130	>	double** the_ul,
131	>	double** the_quat){
132		int index3, index9;
133
134		if( arraysAllocated ){
#	Line 133 \| Line 143 \| void SimState::getAtomPointers( int index,
143		*the_Amat = &(Amat[index9]);
144		*the_mu = &(mu[index]);
145		*the_ul = &(ul[index3]);
146	+	the_quat = &(quat[index4]);
147		}
148		else{
149

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