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Adjust potential energy evaluation in NEQ switching and SMC protocol #83

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saratk1 opened this issue Aug 25, 2023 · 0 comments
Open

Adjust potential energy evaluation in NEQ switching and SMC protocol #83

saratk1 opened this issue Aug 25, 2023 · 0 comments
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saratk1 commented Aug 25, 2023

Currently, in our neq module we evaluate the potential energy difference as U_(\lamb_(x_t))(x_t) - U_(\lamb(t-1))(x_t), while in the smc module we calculate U_(\lamb_(t+1))(x_t) - U_(\lamb_(t))(x_t). Maybe we want to adjust this at some point.
@saratk1 saratk1 self-assigned this Aug 25, 2023
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