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Fix upper vs. lower case

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joguenzl 2023-05-25 13:01:24 +02:00
parent 2cb925c1f5
commit c5516b0afb
1 changed files with 2 additions and 2 deletions
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@ -273,7 +273,7 @@
What kind of spline is used can be provided in the ~interpolator_kind~ field.
For example, FHI-aims uses a cubic spline, so the ~interpolator_kind~ is
\"polynomial\" and the ~interp_coeff_cnt~ is $4$. In this case, the first
\"Polynomial\" and the ~interp_coeff_cnt~ is $4$. In this case, the first
interpolation coefficient per data point is the absolute term, the second is for
the linear term etc.
The interpolation coefficients for the wave function are given in the
@ -333,7 +333,7 @@
| ~numgrid_phi~ | ~float~ | ~(basis.numgrid_num)~ | Wave function values for numerical orbitals | |
| ~numgrid_grad~ | ~float~ | ~(basis.numgrid_num)~ | Radial gradient of numerical orbitals | |
| ~numgrid_lap~ | ~float~ | ~(basis.numgrid_num)~ | Laplacian of numerical orbitals | |
| ~interpolator_kind~ | ~str~ | | Kind of spline, e.g. "polynomial" | |
| ~interpolator_kind~ | ~str~ | | Kind of spline, e.g. "Polynomial" | |
| ~interpolator_phi~ | ~float~ | ~(basis.interp_coeff_cnt,basis.numgrid_num)~ | Coefficients for numerical orbital interpolation function | |
| ~interpolator_grad~ | ~float~ | ~(basis.interp_coeff_cnt,basis.numgrid_num)~ | Coefficients for numerical orbital gradient interpolation function | |
| ~interpolator_lap~ | ~float~ | ~(basis.interp_coeff_cnt,basis.numgrid_num)~ | Coefficients for numerical orbital laplacian interpolation function | |