Fixed soft sphere cutoff calculation

[fweik]

• Added WCA to maxset
• Fixed cutoff calculation for SOFT_SPHERE
• Added function to reset all non-bonded interactions.

[codecov]

Codecov Report

Merging #2505 into python will increase coverage by <1%.
The diff coverage is 100%.

@@           Coverage Diff           @@
##           python   #2505    +/-   ##
=======================================
+ Coverage      72%     72%   +<1%     
=======================================
  Files         485     487     +2     
  Lines       29527   29552    +25     
=======================================
+ Hits        21313   21342    +29     
+ Misses       8214    8210     -4

Impacted Files	Coverage Δ
...bonded_interactions/nonbonded_interaction_data.hpp	100% <ø> (ø)	⬆️
...bonded_interactions/nonbonded_interaction_data.cpp	88% <100%> (+2%)	⬆️
src/core/nonbonded_interactions/wca.cpp	100% <0%> (ø)
src/core/nonbonded_interactions/wca.hpp	100% <0%> (ø)
src/core/forces_inline.hpp	73% <0%> (ø)	⬆️
src/core/energy_inline.hpp	58% <0%> (ø)	⬆️

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[jngrad]

Looks good to me.