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Feature/complex range isgl - #33

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lhapp27 merged 7 commits into
mainfrom
feature/complex-range-isgl
Aug 29, 2026
Merged

Feature/complex range isgl#33
lhapp27 merged 7 commits into
mainfrom
feature/complex-range-isgl

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@lhapp27 lhapp27 commented Aug 29, 2026

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New features:

  • PowerLawPotentials to handle Potentials of the form v(r) = v0*r^p analytically (e.g. Coulomb (Treat Coulomb Potential analytically #9 ), HarmonicOscillator, ...)
  • Complex-ranged Gaussian basis functions for the 3-body ISGL code.
  • small improvements to help compile time

dev and others added 7 commits August 28, 2026 09:26
Implements V(r) = v0*r^p analytically, avoiding both numerical integration
(quadgk) and range-interpolation for this potential class.

Vtilde_n(alpha) = Gamma(n+(3+p)/2)/Gamma(n+3/2) * alpha^(-p/2), so the
alpha-dependence is a single power, identical for every n. It therefore factors
out of the upon-the-shoulder solve, which is hoisted out of the alpha-loop into
w_pow_arr[c,iv,Lsum,n] and applied in element_VPow via etaprc^(-p/2).

Complex scaling enters as a single global factor csmfac^(-p).

S_arr, imax and mij_arr are unchanged: only the radial shape differs, not the
angular structure.

- common/potentialtypes.jl: PowerLawPotential (errors for p <= -3)
- size_estimate.jl: pow_indices / powopt_arr
- preallocate.jl: w_pow_arr
- interpolationNshoulder.jl: analytic shoulder weights; precompute_varr! method
- fillTVS.jl: element_VPow + dispatch in vab
- test/testISGL.jl: section 11
- v_pow moved from precompute_w into preallocate_data / InterpolationStruct,
  so all allocations stay in the preallocation step.
- The shoulder weights are now formed as w = Ainv*v_pow, reusing the Ainv that
  is already computed for Ainv_arr_kine, instead of A_mat_curr\v_pow. This
  removes the per-(Lsum,c,iv) allocation of the backslash-solve and matches the
  way the kinetic-energy coefficients are built.
@lhapp27
lhapp27 merged commit 26280de into main Aug 29, 2026
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@lhapp27
lhapp27 deleted the feature/complex-range-isgl branch September 2, 2026 09:21
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