init.hpp

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#pragma once
 
/**
 * Diagonalizer — abstract interface for eigenvalue solvers.
 *
 * Provides the generic base for all eigensolvers. Planewave-specific
 * solve() methods, cached projector management, and smooth potential
 * cache invalidation are declared in the PlanewaveDiagonalizer subclass.
 */
 
#include <string>
 
#include "layer_0_core/types/init.hpp"
 
namespace q3 {
 
// Abstract interface for eigenvalue solvers.
class Diagonalizer {
  public:
    virtual ~Diagonalizer() = default;
 
    [[nodiscard]] virtual std::string name() const = 0;
 
    /**
     * Set the convergence tolerance for iterative eigensolvers.
     * No-op for direct solvers; overridden by Davidson and similar.
     */
    virtual void set_tolerance(Real /*tolerance*/) {}
 
    /**
     * Set whether this is the first SCF iteration.
     * No-op by default; overridden by solvers like Davidson to control convergence checks.
     */
    virtual void set_first_iteration(bool /*is_first_iteration*/) {}
};
 
} // namespace q3