ppafm.fieldFFT

ppafm.fieldFFT.Average_surf(Val_surf, W_surf, W_tip)

Int_r Val_surf(r+R) W_tip(r) W_sample(r+R) W_tip) * (Val_surf W_sample)

<F>(R) = —————————————– = —————————–; where * means convolution

Int_r W_tip(r) W_sample(r+R) W_tip * W_sample

ppafm.fieldFFT.Average_tip(Val_tip, W_surf, W_tip)

Int_r Val_tip(r) W_tip(r) W_sample(r+R) (Val_tip W_tip) * W_sample

<F>(R) = —————————————– = —————————–; where * means convolution

Int_r W_surf(r) W_sample(r+R) W_tip * W_sample

ppafm.fieldFFT.addCoreDensities(atoms, valElDict, rho, lvec, sigma=0.1)

ppafm.fieldFFT.addCoreDensity(rho, val, x, y, z, sigma=0.1)

ppafm.fieldFFT.conv3DFFT(F2, F1)

ppafm.fieldFFT.exportPotential(rho, rho_data='rho_data')

ppafm.fieldFFT.fieldInfo(F, label='FieldInfo: min max av: ')

ppafm.fieldFFT.getForceTransform(sampleSize, dims, dd, X, Y, Z)

ppafm.fieldFFT.getForces(V, rho, sampleSize, dims, dd, X, Y, Z)

returns forces for all axes, calculation performed in orthogonal coordinates, but results are expressed in skew coord.

ppafm.fieldFFT.getMGrid(dims, dd)

returns coordinate arrays X, Y, Z

ppafm.fieldFFT.getNormalizedBasisMatrix(sampleSize)

returns transformation matrix from OG basis to skew basis

ppafm.fieldFFT.getProbeDensity(sampleSize, X, Y, Z, dd, sigma=0.7, multipole_dict=None, tilt=0.0)

returns probe particle potential

ppafm.fieldFFT.getSampleDimensions(lvec)

returns lvec without the first row

ppafm.fieldFFT.getSize(inp_axis, dims, sampleSize)

returns size of data set in dimension inp_axis together with the length element in the given dimension

ppafm.fieldFFT.getSkewNormalBasis(sampleSize)

returns normalized basis vectors pertaining to the skew basis

ppafm.fieldFFT.getSphericalHarmonic(X, Y, Z, kind='dz2', tilt=0.0)

ppafm.fieldFFT.potential2forces(V, lvec, nDim, sigma=0.7, rho=None, multipole=None, tilt=0.0)

ppafm.fieldFFT.potential2forces_mem(V, lvec, nDim, sigma=0.7, rho=None, multipole=None, doForce=True, doPot=False, deleteV=True, tilt=0.0)

ppafm.fieldFFT.printMetadata(sampleSize, dims, dd, xsize, ysize, zsize, V, rho)

ppafm.fieldFFT.rotZX(Z, X, tilt=0.0)