Fix: Stability fix for force constants (#6)#12
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Ayesha49282 wants to merge 1 commit intotheochem:mainfrom
Open
Fix: Stability fix for force constants (#6)#12Ayesha49282 wants to merge 1 commit intotheochem:mainfrom
Ayesha49282 wants to merge 1 commit intotheochem:mainfrom
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This PR fixes the physically unrealistic force constants by ensuring sigma and epsilon remain positive using np.maximum. This directly addresses the stability issues in the nonbonded calculations as discussed in issue #6.