occ
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d4.h File Reference
#include <occ/core/atom.h>
#include <occ/core/linear_algebra.h>
#include <string>
#include <vector>
Include dependency graph for d4.h:

Classes

struct  occ::disp::D4Damping
 
struct  occ::disp::D4Scaling
 
class  occ::disp::D4Dispersion
 

Namespaces

namespace  occ
 
namespace  occ::disp
 dispersion corrections
 

Enumerations

enum class  occ::disp::RefqMode { occ::disp::GFN2 , occ::disp::DFT }
 

Variables

constexpr D4Damping occ::disp::gfn2_damping {1.0, 2.7, 5.0, 0.52, 5.0, 16}