Improve distance cutoff in DimeNet

[danielzuegner]

Currently (as per my recent PR) the clamping of (dist / cutoff).clamp_max(1.0) is done outside the envelope. However, this means that we need to repeat this for each place using the envelope (e.g., the SphericalBasisLayer). The clean way to do it is to have the masking inside the envelope; this is also how it's implemented in DimeNet.

[codecov]

Codecov Report

Merging #4562 (133e195) into master (e220a2c) will decrease coverage by 0.11%.
The diff coverage is 0.00%.

@@            Coverage Diff             @@
##           master    #4562      +/-   ##
==========================================
- Coverage   82.83%   82.71%   -0.12%     
==========================================
  Files         313      313              
  Lines       16363    16361       -2     
==========================================
- Hits        13554    13533      -21     
- Misses       2809     2828      +19     

Impacted Files	Coverage Δ
torch_geometric/nn/models/dimenet.py	17.66% <0.00%> (ø)
torch_geometric/nn/conv/utils/typing.py	81.25% <0.00%> (-17.50%)	⬇️
torch_geometric/io/tu.py	93.58% <0.00%> (-2.57%)	⬇️
torch_geometric/nn/models/mlp.py	98.41% <0.00%> (-1.59%)	⬇️
torch_geometric/transforms/gdc.py	78.17% <0.00%> (-1.02%)	⬇️
torch_geometric/data/dataset.py	96.80% <0.00%> (-0.80%)	⬇️
torch_geometric/nn/conv/rgat_conv.py	83.76% <0.00%> (-0.53%)	⬇️
torch_geometric/graphgym/utils/comp_budget.py	15.51% <0.00%> (+0.51%)	⬆️

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[rusty1s]

Thanks!