Public Member Functions | |
LessThan (const VesselOptions &da) | |
std::string | function_description () |
The rest of the description of what we are calculating. More... | |
bool | calculate () |
Calculate the part of the vessel that is done in the loop. More... | |
void | finish () |
Complete the calculation once the loop is finished. More... | |
virtual void | resize () |
This does the resizing of the buffer. More... | |
bool | applyForce (std::vector< double > &forces) |
This applies all the forces. More... | |
std::string | description () |
The description for the log. More... | |
std::string | getName () const |
Return the name. More... | |
std::string | getLabel () const |
Return the label. More... | |
void | checkRead () |
Check that readin was fine. More... | |
void | zero () |
Set all the buffer elements to zero. More... | |
void | addToBufferElement (const unsigned &i, const double &val) |
Add something to the ith element in the buffer. More... | |
virtual void | prepare () |
Do something before the loop. More... | |
Static Public Member Functions | |
static void | registerKeywords (Keywords &keys) |
static void | reserveKeyword (Keywords &keys) |
static std::string | transformName (const std::string &name) |
Convert the name to the label of the component. More... | |
Public Attributes | |
Log & | log |
Reference to the log on which to output details. More... | |
Protected Member Functions | |
bool | addValueUsingTolerance (const unsigned &jval, const double &val) |
Add some value to the accumulator if it is greater than tolerance. More... | |
void | addValueIgnoringTolerance (const unsigned &jval, const double &val) |
Add some value to the accumulator and ignore the tolerance. More... | |
void | setOutputValue (const double &val) |
Set the final value. More... | |
double | getFinalValue (const unsigned &j) |
Get the nth value in the distribution. More... | |
void | mergeFinalDerivatives (const std::vector< double > &df) |
This does a combination of the product and chain rules. More... | |
void | setNumberOfDerivatives (const unsigned &nder) |
Resize the vector containing the derivatives. More... | |
void | addDerivativeToFinalValue (const unsigned &j, const double &der) |
Return a pointer to the final value. More... | |
int | getNumericalLabel () const |
Return the numerical label. More... | |
void | error (const std::string &errmsg) |
Report an error. More... | |
template<class T > | |
void | parse (const std::string &key, T &t) |
Parse something from the input. More... | |
template<class T > | |
void | parseVector (const std::string &key, std::vector< T > &t) |
Parse one keyword as std::vector. More... | |
void | parseFlag (const std::string &key, bool &t) |
Parse one keyword as boolean flag. More... | |
std::string | getAllInput () |
This returns the whole input line (it is used for less_than/more_than/between) More... | |
ActionWithVessel * | getAction () |
Return a pointer to the action we are working in. More... | |
double | getTolerance () const |
Return the value of the tolerance. More... | |
double | getNLTolerance () const |
Return the value of the neighbor list tolerance. More... | |
void | resizeBuffer (const unsigned &n) |
Set the size of the data buffer. More... | |
void | setBufferElement (const unsigned &i, const double &val) |
Set the value of the ith element in the buffer. More... | |
double | getBufferElement (const unsigned &i) const |
Get the value in the ith element of the buffer. More... | |
Protected Attributes | |
bool | diffweight |
Are the derivatives differentiable. More... | |
Communicator & | comm |
A copy of the communicator. More... | |
Private Attributes | |
SwitchingFunction | sf |
PLMD::vesselbase::LessThan::LessThan | ( | const VesselOptions & | da | ) |
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inlineprotectedinherited |
Return a pointer to the final value.
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inlineinherited |
Add something to the ith element in the buffer.
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inlineprotectedinherited |
Add some value to the accumulator and ignore the tolerance.
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inlineprotectedinherited |
Add some value to the accumulator if it is greater than tolerance.
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virtualinherited |
This applies all the forces.
Implements PLMD::vesselbase::Vessel.
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virtual |
Calculate the part of the vessel that is done in the loop.
Implements PLMD::vesselbase::Vessel.
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inherited |
Check that readin was fine.
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virtualinherited |
The description for the log.
Implements PLMD::vesselbase::Vessel.
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protectedinherited |
Report an error.
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virtual |
Complete the calculation once the loop is finished.
Implements PLMD::vesselbase::Vessel.
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virtual |
The rest of the description of what we are calculating.
Implements PLMD::vesselbase::FunctionVessel.
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inlineprotectedinherited |
Return a pointer to the action we are working in.
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protectedinherited |
This returns the whole input line (it is used for less_than/more_than/between)
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inlineprotectedinherited |
Get the value in the ith element of the buffer.
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inlineprotectedinherited |
Get the nth value in the distribution.
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inherited |
Return the label.
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inherited |
Return the name.
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inlineprotectedinherited |
Return the value of the neighbor list tolerance.
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inlineprotectedinherited |
Return the numerical label.
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inlineprotectedinherited |
Return the value of the tolerance.
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protectedinherited |
This does a combination of the product and chain rules.
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protectedinherited |
Parse something from the input.
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protectedinherited |
Parse one keyword as boolean flag.
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protectedinherited |
Parse one keyword as std::vector.
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inlinevirtualinherited |
Do something before the loop.
Reimplemented in PLMD::vesselbase::StoreDataVessel, PLMD::vesselbase::BridgeVessel, and PLMD::mapping::SpathVessel.
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static |
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static |
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virtualinherited |
This does the resizing of the buffer.
Implements PLMD::vesselbase::Vessel.
Reimplemented in PLMD::crystallization::VectorMean.
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inlineprotectedinherited |
Set the size of the data buffer.
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inlineprotectedinherited |
Set the value of the ith element in the buffer.
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protectedinherited |
Resize the vector containing the derivatives.
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inlineprotectedinherited |
Set the final value.
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staticinherited |
Convert the name to the label of the component.
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inlineinherited |
Set all the buffer elements to zero.
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protectedinherited |
A copy of the communicator.
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protectedinherited |
Are the derivatives differentiable.
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inherited |
Reference to the log on which to output details.
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private |
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