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replace tabs and remove trailing whitespace in lib folder with updated script

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This commit is contained in:
Axel Kohlmeyer
2021-08-22 20:45:24 -04:00
parent 30821b37e5
commit 92b5b159e5
311 changed files with 9176 additions and 9176 deletions
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38
lib/atc/ConcentrationRegulator.h
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@ -16,13 +16,13 @@ namespace ATC {
class ConcentrationRegulatorMethod;
class ConcentrationRegulator : public AtomicRegulator {
public:
enum ConcentrationRegulatorType {NONE=0,TRANSITION};
/** parser data */
struct ConcentrationRegulatorParameters {
ConcentrationRegulatorParameters():
method(NONE),
method(NONE),
type(0),
groupbit(0),
transitionType(0),
@ -36,14 +36,14 @@ namespace ATC {
int type;
int groupbit;
int transitionType;
double value;
double value;
int frequency;
int transitionInterval;
double maxEnergy;
int maxExchanges;
int maxAttempts;
std::string transitionTag;
ESET elemset;
ESET elemset;
};
/** constructor */
@ -96,22 +96,22 @@ namespace ATC {
private:
ConcentrationRegulator(); // DO NOT define this
};
/**
* @class ConcentrationRegulatorMethod
* @brief Base class for ConcentrationRegulator algorithms
* @brief Base class for ConcentrationRegulator algorithms
*/
class ConcentrationRegulatorMethod : public RegulatorShapeFunction {
public:
ConcentrationRegulatorMethod(ConcentrationRegulator *c)
: RegulatorShapeFunction(c) {};
~ConcentrationRegulatorMethod() {};
void initialize(void) {};
virtual void pre_force() {};
virtual void pre_exchange() {};
virtual void finish() {};
virtual void pre_force() {};
virtual void pre_exchange() {};
virtual void finish() {};
virtual void set_weights() {};
virtual double compute_vector(int /* n */) const { return 0;}
virtual void output(OUTPUT_LIST & /* outputData */){};
@ -124,7 +124,7 @@ namespace ATC {
* @brief GCMC + thermodynamic integration
*/
class ConcentrationRegulatorMethodTransition : public ConcentrationRegulatorMethod {
public:
/** constructor */
ConcentrationRegulatorMethodTransition(
@ -135,11 +135,11 @@ namespace ATC {
if (randomNumberGenerator_) delete randomNumberGenerator_;
}
/** initialize */
void initialize(void);
void initialize(void);
/** prior to force evaluation */
virtual void pre_force();
virtual void pre_force();
/** prior to exchanges */
virtual void pre_exchange();
virtual void pre_exchange();
/** "thermo" output */
virtual double compute_vector(int n) const;
protected:
@ -155,13 +155,13 @@ namespace ATC {
double deletion_id_free(ID_PAIR & id) const ;
double insertion_factor(int c) const // a ramp
{
if (c < transitionInterval_) return ((double) c)/transitionInterval_;
if (c < transitionInterval_) return ((double) c)/transitionInterval_;
else return 1.0;
}
void transition();
bool accept(double energy, double T = 0) const;
bool delete_atoms(int n);
bool insert_atoms(int n);
bool insert_atoms(int n);
int pick_element() const;
void pick_coordinates(const int elem, DENS_VEC & xi, DENS_VEC& x ) const;
void pick_velocity(DENS_VEC & v, const double T ) const;
@ -179,9 +179,9 @@ namespace ATC {
/** member data */
class AtomInElementSet * list_;
double targetConcentration_;
double targetCount_;
ESET elemset_;
double targetConcentration_;
double targetCount_;
ESET elemset_;
POTENTIAL p_;
RNG_POINTER randomNumberGenerator_;
DENS_VEC volumes_;