39 |
|
} |
40 |
|
} |
41 |
|
|
42 |
– |
// retrieve eta array from simInfo if it exists |
43 |
– |
data = info->getProperty(ETAVALUE_ID); |
44 |
– |
if(data){ |
45 |
– |
etaValue = dynamic_cast<DoubleArrayData*>(data); |
42 |
|
|
43 |
< |
if(etaValue){ |
48 |
< |
etaArray = etaValue->getData(); |
43 |
> |
if( theInfo->useInitXSstate ){ |
44 |
|
|
45 |
< |
for(i = 0; i < 3; i++){ |
46 |
< |
for (j = 0; j < 3; j++){ |
47 |
< |
eta[i][j] = etaArray[3*i+j]; |
48 |
< |
oldEta[i][j] = eta[i][j]; |
49 |
< |
} |
45 |
> |
// retrieve eta array from simInfo if it exists |
46 |
> |
data = info->getProperty(ETAVALUE_ID); |
47 |
> |
if(data){ |
48 |
> |
etaValue = dynamic_cast<DoubleArrayData*>(data); |
49 |
> |
|
50 |
> |
if(etaValue){ |
51 |
> |
etaArray = etaValue->getData(); |
52 |
> |
|
53 |
> |
for(i = 0; i < 3; i++){ |
54 |
> |
for (j = 0; j < 3; j++){ |
55 |
> |
eta[i][j] = etaArray[3*i+j]; |
56 |
> |
oldEta[i][j] = eta[i][j]; |
57 |
> |
} |
58 |
> |
} |
59 |
|
} |
60 |
|
} |
61 |
|
} |
58 |
– |
|
62 |
|
} |
63 |
|
|
64 |
|
template<typename T> NPTxyz<T>::~NPTxyz() { |
116 |
|
} |
117 |
|
} |
118 |
|
|
119 |
< |
template<typename T> void NPTxyz<T>::getVelScaleA(double sc[3], double vel[3]) { |
119 |
> |
template<typename T> void NPTxyz<T>::calcVelScale(void) { |
120 |
|
int i,j; |
118 |
– |
double vScale[3][3]; |
121 |
|
|
122 |
|
for (i = 0; i < 3; i++ ) { |
123 |
|
for (j = 0; j < 3; j++ ) { |
128 |
|
} |
129 |
|
} |
130 |
|
} |
131 |
+ |
} |
132 |
|
|
133 |
+ |
template<typename T> void NPTxyz<T>::getVelScaleA(double sc[3], double vel[3]) { |
134 |
|
info->matVecMul3( vScale, vel, sc ); |
135 |
|
} |
136 |
|
|
137 |
|
template<typename T> void NPTxyz<T>::getVelScaleB(double sc[3], int index ){ |
138 |
< |
int i,j; |
138 |
> |
int j; |
139 |
|
double myVel[3]; |
136 |
– |
double vScale[3][3]; |
137 |
– |
|
138 |
– |
for (i = 0; i < 3; i++ ) { |
139 |
– |
for (j = 0; j < 3; j++ ) { |
140 |
– |
vScale[i][j] = eta[i][j]; |
140 |
|
|
142 |
– |
if (i == j) { |
143 |
– |
vScale[i][j] += chi; |
144 |
– |
} |
145 |
– |
} |
146 |
– |
} |
147 |
– |
|
141 |
|
for (j = 0; j < 3; j++) |
142 |
|
myVel[j] = oldVel[3*index + j]; |
143 |
|
|
298 |
|
const int BUFFERSIZE = 2000; // size of the read buffer |
299 |
|
char buffer[BUFFERSIZE]; |
300 |
|
|
301 |
< |
sprintf(buffer,"\t%lf\t%lf;", chi, integralOfChidt); |
301 |
> |
sprintf(buffer,"\t%G\t%G;", chi, integralOfChidt); |
302 |
|
parameters += buffer; |
303 |
|
|
304 |
|
for(int i = 0; i < 3; i++){ |
305 |
< |
sprintf(buffer,"\t%lf\t%lf\t%lf;", eta[3*i], eta[3*i+1], eta[3*i+2]); |
305 |
> |
sprintf(buffer,"\t%G\t%G\t%G;", eta[i][0], eta[i][1], eta[i][2]); |
306 |
|
parameters += buffer; |
307 |
|
} |
308 |
|
|