| 50 |
|
|
| 51 |
|
namespace OpenMD { |
| 52 |
|
|
| 53 |
< |
UniformGradient::UniformGradient(SimInfo* info) : info_(info), |
| 54 |
< |
doUniformGradient(false), |
| 55 |
< |
doParticlePot(false), |
| 56 |
< |
initialized(false) { |
| 53 |
> |
UniformGradient::UniformGradient(SimInfo* info) : initialized(false), |
| 54 |
> |
doUniformGradient(false), |
| 55 |
> |
doParticlePot(false), |
| 56 |
> |
info_(info) { |
| 57 |
|
simParams = info_->getSimParams(); |
| 58 |
|
} |
| 59 |
|
|
| 119 |
|
Grad_(2,2) = 2.0 * (a_.z()*b_.z() - cpsi_ / 3.0); |
| 120 |
|
|
| 121 |
|
Grad_ *= g_ / 2.0; |
| 122 |
+ |
|
| 123 |
|
} else { |
| 124 |
|
if (!haveA) { |
| 125 |
|
sprintf(painCave.errMsg, |