missing jvec.txt file

[sjalifej]

Dear all, I am running a GIMIC calculation. This is my input file:

calc=cdens          # cdens, integral, edens, divj
title=""
basis="../MOL"
xdens="../XDENS"
debug=1           # debug print level
openshell=false
magnet_axis=z #[-] i,j,k || x,y,z -> align magnet along axis

Grid(base) {                    # define grid orthogonal to a bond 
    type=even                  # gauss distribution of grid points
    origin=[-20.0, -10.0, 1.889725989]   # origin of grid
    ivec=[1.0, 0.0, 0.0]        # basis vector i
    jvec=[ 0.0, 1.0, 0.0]       # basis vector j ( k = i x j )
    lengths=[40.0, 20.0, 0.0]   # lenthts of (i,j,k)
    spacing=[0.5, 0.5, 0.5]     # spacing of points on grid (i,j,k)
}

Advanced {
    lip_order=5     # order of Lagrange Interpolating Polynominals to use
    spherical=off   # don't touch, unless you REALLY know what you are doing
    diamag=on       # turn on/off diamagnetic contributions
    paramag=on      # turn on/off paramagnetic contributions
    GIAO=on         # turn on/off GIAOs. Don't change unless you know why.
    screening=on    # use screening to speed up 
    screening_thrs=1.d-8   # Screening threshold
}

Essential {         # works only for master
    acid=on
}

The program runs well, it generates the 2d.out, jvec.vti, grid.xyz and mol.xyz files, but it does not generate the jvec.txt.

Could anyone guide me on what could be wrong?

[bast]

I had a look in the code and its history and it seems that jvec.txt was removed as output format in favor of the VTK format now already some years ago.

An older version of the documentation had a note on that but that got later replaced.

However, present documentation does describe the format here, which is confusing. So this will need to be fixed.