Commit 9f649c31 authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12813 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 70593d92

lib/atc/ATC_CouplingMomentumEnergy.cpp

+1 −3
Original line number Original line Diff line number Diff line
@@ -321,9 +321,7 @@ namespace ATC { 
  //--------------------------------------------------------

  //--------------------------------------------------------

  bool ATC_CouplingMomentumEnergy::modify(int narg, char **arg)

  bool ATC_CouplingMomentumEnergy::modify(int narg, char **arg)

  {

  {

    bool foundMatch = false;

    return false;

    int argIndex = 0;

    return foundMatch;

  }

  }





  //--------------------------------------------------------------------

  //--------------------------------------------------------------------

lib/atc/AtomicRegulator.h

+2 −1
Original line number Original line Diff line number Diff line
@@ -140,7 +140,8 @@ namespace ATC { 
    /** returns a pointer to the DENS_MAN associated with the tag, creates a new data member if necessary */

    /** returns a pointer to the DENS_MAN associated with the tag, creates a new data member if necessary */

    DENS_MAN * regulator_data(const std::string tag, int nCols);

    DENS_MAN * regulator_data(const std::string tag, int nCols);

    /** can externally set regulator dynamic contributions */

    /** can externally set regulator dynamic contributions */

    virtual void reset_lambda_contribution(const DENS_MAT & target, const FieldName field=NUM_TOTAL_FIELDS) {};

    virtual void reset_lambda_contribution(const DENS_MAT & target, const FieldName field) {};

    virtual void reset_lambda_contribution(const DENS_MAT & target) { reset_lambda_contribution(target,NUM_TOTAL_FIELDS); }

    /** returns a const pointer to the DENS_MAN associated with the tag, or NULL */

    /** returns a const pointer to the DENS_MAN associated with the tag, or NULL */

    const DENS_MAN * regulator_data(const std::string tag) const;

    const DENS_MAN * regulator_data(const std::string tag) const;

    /** return the maximum number of iterations */

    /** return the maximum number of iterations */

lib/atc/CauchyBorn.h

+2 −1
Original line number Original line Diff line number Diff line
@@ -43,7 +43,8 @@ namespace ATC { 
   *  @brief  Class for storing parameters needed for computing the Cauchy-Born stress

   *  @brief  Class for storing parameters needed for computing the Cauchy-Born stress

   */

   */





  struct StressArgs {

  class StressArgs {

  public:

    StressArgs(AtomCluster &v, CbPotential *p, double kB, double hbar, double T)

    StressArgs(AtomCluster &v, CbPotential *p, double kB, double hbar, double T)

      : vac(v), potential(p), boltzmann_constant(kB), planck_constant(hbar),

      : vac(v), potential(p), boltzmann_constant(kB), planck_constant(hbar),

      temperature(T) {}

      temperature(T) {}

lib/atc/ChargeRegulator.cpp

+2 −2
Original line number Original line Diff line number Diff line
@@ -142,9 +142,9 @@ namespace ATC { 
  //--------------------------------------------------------

  //--------------------------------------------------------

  //  output

  //  output

  //--------------------------------------------------------

  //--------------------------------------------------------

  void ChargeRegulator::output(OUTPUT_LIST & outputData)

  void ChargeRegulator::output(OUTPUT_LIST & outputData) const

  {

  {

    map<string, ChargeRegulatorMethod *>::iterator itr;

    map<string, ChargeRegulatorMethod *>::const_iterator itr;

    for (itr = regulators_.begin();

    for (itr = regulators_.begin();

         itr != regulators_.end(); itr++) { itr->second->output(outputData);}

         itr != regulators_.end(); itr++) { itr->second->output(outputData);}

  }

  }

lib/atc/ChargeRegulator.h

+2 −2
Original line number Original line Diff line number Diff line
@@ -64,8 +64,8 @@ namespace ATC { 
    virtual void initialize();

    virtual void initialize();

    virtual void apply_pre_force(double dt);

    virtual void apply_pre_force(double dt);

    virtual void apply_post_force(double dt);

    virtual void apply_post_force(double dt);

    virtual void output(OUTPUT_LIST & outputData);

    virtual void output(OUTPUT_LIST & outputData) const;

    virtual double compute_vector(int n) {return 0;} // TODO

    virtual double compute_vector(int n) const {return 0;} // TODO





    void assign_poisson_solver(PoissonSolver * solver) { poissonSolver_ = solver;}  

    void assign_poisson_solver(PoissonSolver * solver) { poissonSolver_ = solver;}  

    PoissonSolver * poisson_solver(void) { return poissonSolver_;} 

    PoissonSolver * poisson_solver(void) { return poissonSolver_;}

CRA Git | Maintained and supported by SUSTech CRA and CCSE