N

Name NDimModelmb
Section States::ModelMB
Type integer
Default 1

Number of dimensions for modelmb space. Full Ndim = NDimModelmb*NParticleModelmb

Name NFFTCutoff
Section Mesh::FFTs
Type integer
Default 6

Cut-off parameter of the window function. See NFFT manual for details.

Name NFFTGuruInterface
Section Mesh::FFTs
Type logical
Default false

Perform NFFT with guru interface. This permits the fine tuning of several critical parameters.

Name NFFTOversampling
Section Mesh::FFTs
Type float
Default 2

NFFT oversampling factor (sigma). This will rule the size of the FFT under the hood.

Name NFFTPrecompute
Section Mesh::FFTs
Type integer
Default NFFT_PRE_PSI

NFFT precomputation strategy.

Options:

• NFFT_PRE_LIN_PSI:
  This method implements a linear interpolation from a lookup table.
  
• NFFT_PRE_PSI:
  This method uses a medium amount of memory to store d*(2*m+1)*M real numbers and requires at most 2(2m + 1)d extra multiplications for each node. This is the default option.
  
• NFFT_PRE_FULL_PSI:
  Is the fastest method but requires a large amount of memory as it requires to store (2*m+1)^d*M real numbers. No extra operations are needed during matrix vector multiplication.
  

Name NLOperatorCompactBoundaries
Section Execution::Optimization
Type logical
Default no

(Experimental) When set to yes, for finite systems Octopus will map boundary points for finite-differences operators to a few memory locations. This increases performance, however it is experimental and has not been thoroughly tested.

Name NParticleModelmb
Section States::ModelMB
Type integer
Default 0

Number of particles in modelmb space. Full Ndim = NDimModelmb*NParticleModelmb

Name NTypeParticleModelmb
Section States::ModelMB
Type integer
Default 1

Number of different types of particles in modelmb space.