updates: igor 7, map projections, hemi cuts, longitudinal section
- pearl procedures compile under igor 7. some features may not work, e.g. 3D graphics with gizmo. - add orthographic map projection to angle scans. - add functions for azimuthal and polar cuts through hemispherical scan. - add function to load longitudinal section from pshell data file.
This commit is contained in:
@ -454,7 +454,7 @@ function Au4f(w, x): fitfunc
|
||||
vc1 = w[ip] / sqrt(pi) * vc2
|
||||
vc3 = w[ip+1]
|
||||
vc4 = vc2 * w[ip+2] / 2
|
||||
v += vc1 * Voigt(vc2 * (x - vc3), vc4)
|
||||
v += vc1 * VoigtFunc(vc2 * (x - vc3), vc4)
|
||||
endfor
|
||||
|
||||
return v
|
||||
@ -491,25 +491,25 @@ function Au4f_2p2(w, x): fitfunc
|
||||
vc1 = w[3] / sqrt(pi) * vc2
|
||||
vc3 = w[4]
|
||||
vc4 = vc2 * w[5] / 2
|
||||
v += vc1 * Voigt(vc2 * (x - vc3), vc4)
|
||||
v += vc1 * VoigtFunc(vc2 * (x - vc3), vc4)
|
||||
|
||||
// 5/2 surface
|
||||
vc1 = w[3] / sqrt(pi) * vc2 * w[9]
|
||||
vc3 = w[4] + w[10]
|
||||
vc4 = vc2 * w[5] / 2
|
||||
v += vc1 * Voigt(vc2 * (x - vc3), vc4)
|
||||
v += vc1 * VoigtFunc(vc2 * (x - vc3), vc4)
|
||||
|
||||
// 7/2 bulk
|
||||
vc1 = w[6] / sqrt(pi) * vc2
|
||||
vc3 = w[7]
|
||||
vc4 = vc2 * w[8] / 2
|
||||
v += vc1 * Voigt(vc2 * (x - vc3), vc4)
|
||||
v += vc1 * VoigtFunc(vc2 * (x - vc3), vc4)
|
||||
|
||||
// 7/2 surface
|
||||
vc1 = w[6] / sqrt(pi) * vc2 * w[9]
|
||||
vc3 = w[7] + w[10]
|
||||
vc4 = vc2 * w[8] / 2
|
||||
v += vc1 * Voigt(vc2 * (x - vc3), vc4)
|
||||
v += vc1 * VoigtFunc(vc2 * (x - vc3), vc4)
|
||||
|
||||
return v
|
||||
|
||||
@ -578,37 +578,37 @@ function Au4f_2p3(w, x): fitfunc
|
||||
vc1 = w[3] / sqrt(pi) * vc2
|
||||
vc3 = w[4]
|
||||
vc4 = vc2 * w[5] / 2
|
||||
v += vc1 * Voigt(vc2 * (x - vc3), vc4)
|
||||
v += vc1 * VoigtFunc(vc2 * (x - vc3), vc4)
|
||||
|
||||
// 5/2 surface
|
||||
vc1 = w[3] / sqrt(pi) * vc2 * w[9]
|
||||
vc3 = w[4] + w[10]
|
||||
vc4 = vc2 * w[5] / 2
|
||||
v += vc1 * Voigt(vc2 * (x - vc3), vc4)
|
||||
v += vc1 * VoigtFunc(vc2 * (x - vc3), vc4)
|
||||
|
||||
// 5/2 2nd layer
|
||||
vc1 = w[3] / sqrt(pi) * vc2 * w[11]
|
||||
vc3 = w[4] + w[12]
|
||||
vc4 = vc2 * w[5] / 2
|
||||
v += vc1 * Voigt(vc2 * (x - vc3), vc4)
|
||||
v += vc1 * VoigtFunc(vc2 * (x - vc3), vc4)
|
||||
|
||||
// 7/2 bulk
|
||||
vc1 = w[6] / sqrt(pi) * vc2
|
||||
vc3 = w[7]
|
||||
vc4 = vc2 * w[8] / 2
|
||||
v += vc1 * Voigt(vc2 * (x - vc3), vc4)
|
||||
v += vc1 * VoigtFunc(vc2 * (x - vc3), vc4)
|
||||
|
||||
// 7/2 surface
|
||||
vc1 = w[6] / sqrt(pi) * vc2 * w[9]
|
||||
vc3 = w[7] + w[10]
|
||||
vc4 = vc2 * w[8] / 2
|
||||
v += vc1 * Voigt(vc2 * (x - vc3), vc4)
|
||||
v += vc1 * VoigtFunc(vc2 * (x - vc3), vc4)
|
||||
|
||||
// 7/2 2nd layer
|
||||
vc1 = w[6] / sqrt(pi) * vc2 * w[11]
|
||||
vc3 = w[7] + w[12]
|
||||
vc4 = vc2 * w[8] / 2
|
||||
v += vc1 * Voigt(vc2 * (x - vc3), vc4)
|
||||
v += vc1 * VoigtFunc(vc2 * (x - vc3), vc4)
|
||||
|
||||
return v
|
||||
|
||||
|
Reference in New Issue
Block a user