| 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). |
| 38 |
> |
* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008). |
| 39 |
|
* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
| 40 |
|
* [4] , Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). * |
| 41 |
|
* ParameterManager.hpp |
| 167 |
|
template<typename T> static RepType convert(T v) {RepType tmp; convert(v,tmp);return tmp;} |
| 168 |
|
static bool convert(RepType v, RepType& r) {r=v; return true;} |
| 169 |
|
static bool convert(std::string v, RepType& r) { |
| 170 |
+ |
std::cerr << "calling tokenizer\n"; |
| 171 |
|
OpenMD::StringTokenizer tokenizer(v," ();,\t\n\r"); |
| 172 |
|
if (tokenizer.countTokens() == 3) { |
| 173 |
|
RealType v1 = tokenizer.nextTokenAsDouble(); |
| 218 |
|
class Parameter : public ParameterBase{ |
| 219 |
|
public: |
| 220 |
|
typedef ParameterTraits<ParamType> ValueType; |
| 221 |
< |
void setDefaultValue(const ParamType& value) {data_ = value; defaultValue_ = true;} |
| 221 |
> |
void setDefaultValue(const ParamType& value) {data_ = value; defaultValue_ = true; empty_ = false;} |
| 222 |
|
ParamType getData() { return data_;} |
| 223 |
|
|
| 224 |
|
virtual bool setData(std::string sval) { |
