ppafm.core#

class ppafm.core.SplineParameters(xs, ydys)[source]#

Bases: Structure

classmethod from_file(file_path)[source]#

rff_n#: Structure/Union member

rff_xs#: Structure/Union member

rff_ydys#: Structure/Union member

ppafm.core.computeD3Coeffs(Rs, iZs, iZPP, df_params)[source]#

ppafm.core.deleteFF_Epointer()[source]#

ppafm.core.deleteFF_Fpointer()[source]#

ppafm.core.evalRadialFF(rs, coefs, Es=None, Fs=None, kind=1, ADamp=-1)[source]#

ppafm.core.getCoulombFF(Rs, kQQs, kind=0)[source]#

ppafm.core.getDFTD3FF(Rs, d3_coeffs)[source]#

ppafm.core.getDensityR4spline(Rs, cRAs, bNormalize=True)[source]#

ppafm.core.getGaussDensity(Rs, cRAs)[source]#

ppafm.core.getInPoints_LJ(ps, Rs, cLJs, FEs=None)[source]#

ppafm.core.getLennardJonesFF(Rs, cLJs)[source]#

ppafm.core.getMorseFF(Rs, REs, alpha=None, parameters=None)[source]#

ppafm.core.getSlaterDensity(Rs, cRAs)[source]#

ppafm.core.getVdWFF(Rs, cLJs)[source]#

ppafm.core.getVdWFF_RE(Rs, REs, kind=0, ADamp=-1.0)[source]#

ppafm.core.relaxTipStroke(rTips, rs, fs, probeStart=1, relaxAlg=1, tip_spline=None)[source]#

ppafm.core.relaxTipStrokes_omp(rTips, rs, fs, probeStart=1, relaxAlg=1, tip_spline=None)[source]#

ppafm.core.setFF_Epointer(gridE)[source]#

ppafm.core.setFF_Fpointer(gridF)[source]#

ppafm.core.setFIRE(finc=1.1, fdec=0.5, falpha=0.99)[source]#

ppafm.core.setGridCell(cell)[source]#

ppafm.core.setGridN(n)[source]#

ppafm.core.setRelax(maxIters=1000, convF2=0.0001, dt=0.1, damping=0.1)[source]#

ppafm.core.setTip(lRadial=None, kRadial=None, rPP0=None, kSpring=None, parameters=None)[source]#

ppafm.core.stiffnessMatrix(rTips, rPPs, which=0, ddisp=0.05, tip_spline=None)[source]#

ppafm.core.subsample_nonuniform_spline(xs, ydys, xs_, ys_=None)[source]#

ppafm.core.subsample_uniform_spline(x0, dx, ydys, xs_, ys_=None)[source]#

ppafm.core.test_eigen3x3(mat)[source]#

ppafm.core.test_force(typ, r0, dr, R, fs, spline_parameters=None)[source]#