ls1-MarDyn
ls1-MarDyn molecular dynamics code
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#include <FFTAccelerableExpansion.h>
Public Member Functions | |
FFTAccelerableExpansion () | |
Constructor, set the storage pointer to NULL by default. | |
virtual | ~FFTAccelerableExpansion () |
virtual destructor to ensure correct destructor sequence, delete the _FFTData if set | |
virtual double & | get_C (unsigned l, unsigned m)=0 |
virtual double & | get_S (unsigned l, unsigned m)=0 |
bool | issetFFTData () |
inline isset test | |
Public Attributes | |
FFTDataContainer * | _FFTData |
Interface of the expansion used by the FFTAcceleration, Expansions have to inherit it
Requires accessor to the expansion's values and set a FFTDataContainer storage (abstract class by itself) Delete the storage by itself in its virtual destructor.
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pure virtual |
Accessor to the real part of an expansion. Only require access to the positive m part, the negative m will be reconstructed using the symmetry
unsigned | int l, 0 <= l < max_order |
unsigned | int m, 0 <= m <= l |
Implemented in DummyExpansion.
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pure virtual |
Accessor to the imaginary part of an expansion. Only require access to the positive m part, the negative m will be reconstructed using the symmetry
unsigned | int l, 0 <= l < max_order |
unsigned | int m, 0 <= m <= l |
Implemented in DummyExpansion.
FFTDataContainer* FFTAccelerableExpansion::_FFTData |
FFTDataContainer pointer, abstract class whose implementations store all required data to the M2L FFT acceleration by an FFTAcceleration's implementation
Will need to be copied by a copy constructor using _FFTData->copyContainer() to get a copy (see FFTDataContainer.h)