Forgot to sum
@@ -1428,7 +1428,7 @@ class MultiStateSamplerAnalyzer(PhaseAnalyzer):
# Correct for potentially-changing log weights
if has_log_weights:
- u_n[iteration] += - log_weights[states_slice, iteration] \
+ u_n[iteration] += - np.sum(log_weights[states_slice, iteration]) \
+ logsumexp(-f_l[:] + log_weights[:, iteration])
logger.debug("Done.")
