diff --git a/TCutility/results/input_blocks b/TCutility/results/input_blocks index 1467e506..c3332414 100644 --- a/TCutility/results/input_blocks +++ b/TCutility/results/input_blocks @@ -407,4 +407,8 @@ AMS - - - DFTHalf - - - - ActiveAtomType - - ZlmFit -- - - QualityPerRegion \ No newline at end of file +- - - QualityPerRegion + +# https://www.scm.com/doc/ADF/Input/NMR_chemical_shifts.html +- NMR +- Analysis \ No newline at end of file diff --git a/test/fixtures/input_files/NMR_B3LYP.in b/test/fixtures/input_files/NMR_B3LYP.in new file mode 100644 index 00000000..2b52d706 --- /dev/null +++ b/test/fixtures/input_files/NMR_B3LYP.in @@ -0,0 +1,8 @@ +adffile NR.results/adf.rkf +tape10file NR.results/TAPE10 +NMR + U1K BEST + Out TENS + Nuc 1 2 + SCF 1.0e-4 +End