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removed g(r) calc
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2AUK committed Oct 17, 2023
1 parent cc5254b commit 0fd2eff
Showing 1 changed file with 0 additions and 3 deletions.
3 changes: 0 additions & 3 deletions src/driver.rs
Original file line number Diff line number Diff line change
Expand Up @@ -292,9 +292,6 @@ impl RISMDriver {
solver_config: self.solver.clone(),
};

// let gr_uv = &uv_solution.clone().unwrap().correlations.cr
// + &uv_solution.clone().unwrap().correlations.tr
// + 1.0;
Solutions {
config,
vv: vv_solution,
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