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Commit 8ab0edd4 authored by Giovanni Bussi's avatar Giovanni Bussi
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Some class name fixed

Class providing actions should have the same name as the input directive
parent 0f7b8bb3
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...@@ -49,21 +49,21 @@ PRINT ARG=d1,d2,b.d1,b.d2 ...@@ -49,21 +49,21 @@ PRINT ARG=d1,d2,b.d1,b.d2
*/ */
//+ENDPLUMEDOC //+ENDPLUMEDOC
class Value : public Bias{ class BiasValue : public Bias{
public: public:
Value(const ActionOptions&); BiasValue(const ActionOptions&);
void calculate(); void calculate();
static void registerKeywords(Keywords& keys); static void registerKeywords(Keywords& keys);
}; };
PLUMED_REGISTER_ACTION(Value,"BIASVALUE") PLUMED_REGISTER_ACTION(BiasValue,"BIASVALUE")
void Value::registerKeywords(Keywords& keys){ void BiasValue::registerKeywords(Keywords& keys){
Bias::registerKeywords(keys); Bias::registerKeywords(keys);
keys.use("ARG"); keys.use("ARG");
} }
Value::Value(const ActionOptions&ao): BiasValue::BiasValue(const ActionOptions&ao):
PLUMED_BIAS_INIT(ao) PLUMED_BIAS_INIT(ao)
{ {
checkRead(); checkRead();
...@@ -77,7 +77,7 @@ PLUMED_BIAS_INIT(ao) ...@@ -77,7 +77,7 @@ PLUMED_BIAS_INIT(ao)
} }
} }
void Value::calculate(){ void BiasValue::calculate(){
for(unsigned i=0;i< getNumberOfArguments() ;++i){ for(unsigned i=0;i< getNumberOfArguments() ;++i){
double val; val=getArgument(i); double val; val=getArgument(i);
// log<<"BIAS "<<val<<"\n"; // log<<"BIAS "<<val<<"\n";
......
...@@ -31,7 +31,9 @@ Anyway, it is registered here, so that excluding this module from ...@@ -31,7 +31,9 @@ Anyway, it is registered here, so that excluding this module from
compilation will exclude it from plumed. compilation will exclude it from plumed.
*/ */
PLUMED_REGISTER_ACTION(SetupMolInfo,"MOLINFO") typedef PLMD::SetupMolInfo MolInfo;
PLUMED_REGISTER_ACTION(MolInfo,"MOLINFO")
} }
} }
...@@ -51,24 +51,24 @@ PRINT ARG=d1 ...@@ -51,24 +51,24 @@ PRINT ARG=d1
//+ENDPLUMEDOC //+ENDPLUMEDOC
class GhostAtom: class Ghost:
public ActionWithVirtualAtom public ActionWithVirtualAtom
{ {
vector<double> coord; vector<double> coord;
public: public:
GhostAtom(const ActionOptions&ao); Ghost(const ActionOptions&ao);
void calculate(); void calculate();
static void registerKeywords( Keywords& keys ); static void registerKeywords( Keywords& keys );
}; };
PLUMED_REGISTER_ACTION(GhostAtom,"GHOST") PLUMED_REGISTER_ACTION(Ghost,"GHOST")
void GhostAtom::registerKeywords(Keywords& keys){ void Ghost::registerKeywords(Keywords& keys){
ActionWithVirtualAtom::registerKeywords(keys); ActionWithVirtualAtom::registerKeywords(keys);
keys.add("atoms","COORDINATES","coordinates of the ghost atom in the local reference frame"); keys.add("atoms","COORDINATES","coordinates of the ghost atom in the local reference frame");
} }
GhostAtom::GhostAtom(const ActionOptions&ao): Ghost::Ghost(const ActionOptions&ao):
Action(ao), Action(ao),
ActionWithVirtualAtom(ao) ActionWithVirtualAtom(ao)
{ {
...@@ -86,7 +86,7 @@ GhostAtom::GhostAtom(const ActionOptions&ao): ...@@ -86,7 +86,7 @@ GhostAtom::GhostAtom(const ActionOptions&ao):
requestAtoms(atoms); requestAtoms(atoms);
} }
void GhostAtom::calculate(){ void Ghost::calculate(){
Vector pos; Vector pos;
vector<Tensor> deriv(getNumberOfAtoms()); vector<Tensor> deriv(getNumberOfAtoms());
vector<Vector> n; vector<Vector> n;
......
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