159 |
|
|
160 |
|
// picks random velocities from a gaussian distribution |
161 |
|
// centered on vbar |
162 |
< |
|
162 |
> |
#ifndef USE_SPRNG |
163 |
> |
/* If we are using mpi, we need to use the SPRNG random |
164 |
> |
generator. The non drand48 generator will just repeat |
165 |
> |
the same numbers for every node creating a non-gaussian |
166 |
> |
distribution for the simulation. drand48 is fine for the |
167 |
> |
single processor version of the code, but SPRNG should |
168 |
> |
still be preferred for consistency. |
169 |
> |
*/ |
170 |
> |
#ifdef IS_MPI |
171 |
> |
#error "SPRNG random number generator must be used for MPI" |
172 |
> |
#else |
173 |
> |
#warning "Using drand48 for random number generation" |
174 |
> |
#endif |
175 |
|
x = drand48(); |
176 |
|
y = drand48(); |
177 |
|
vx = vbar * sqrt( -2.0 * log(x)) * cos(2 * M_PI * y); |
183 |
|
x = drand48(); |
184 |
|
y = drand48(); |
185 |
|
vz = vbar * sqrt( -2.0 * log(x)) * cos(2 * M_PI * y); |
186 |
< |
|
186 |
> |
#endif |
187 |
> |
|
188 |
> |
#ifdef USE_SPRNG |
189 |
> |
vx = vbar * entry_plug->gaussStream->getGaussian(); |
190 |
> |
vy = vbar * entry_plug->gaussStream->getGaussian(); |
191 |
> |
vz = vbar * entry_plug->gaussStream->getGaussian(); |
192 |
> |
#endif |
193 |
> |
|
194 |
|
atoms[vr]->set_vx( vx ); |
195 |
|
atoms[vr]->set_vy( vy ); |
196 |
|
atoms[vr]->set_vz( vz ); |
238 |
|
if( atoms[i]->isDirectional() ){ |
239 |
|
|
240 |
|
dAtom = (DirectionalAtom *)atoms[i]; |
241 |
+ |
#ifdef IS_MPI |
242 |
+ |
#error "SPRNG random number generator must be used for MPI" |
243 |
+ |
#else |
244 |
+ |
#warning "Using drand48 for random number generation" |
245 |
+ |
#endif |
246 |
|
|
247 |
|
vbar = sqrt( 2.0 * kebar * dAtom->getIxx() ); |
248 |
|
x = drand48(); |
258 |
|
x = drand48(); |
259 |
|
y = drand48(); |
260 |
|
jz = vbar * sqrt( -2.0 * log(x)) * cos(2 * M_PI * y); |
261 |
+ |
#endif |
262 |
+ |
#ifdef USE_SPRNG |
263 |
+ |
vbar = sqrt( 2.0 * kebar * dAtom->getIxx() ); |
264 |
+ |
jx = vbar * entry_plug->gaussStream->getGaussian(); |
265 |
+ |
|
266 |
+ |
vbar = sqrt( 2.0 * kebar * dAtom->getIyy() ); |
267 |
+ |
jy = vbar * entry_plug->gaussStream->getGaussian(); |
268 |
+ |
|
269 |
+ |
vbar = sqrt( 2.0 * kebar * dAtom->getIzz() ); |
270 |
+ |
jz = vbar * entry_plug->gaussStream->getGaussian(); |
271 |
+ |
#endif |
272 |
|
|
273 |
|
dAtom->setJx( jx ); |
274 |
|
dAtom->setJy( jy ); |