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Update pme.py
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WangXinyan940 committed Oct 26, 2023
1 parent 7e94269 commit f20b893
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1 change: 0 additions & 1 deletion dmff/admp/pme.py
Original file line number Diff line number Diff line change
Expand Up @@ -857,7 +857,6 @@ def pme_real(positions, box, pairs,
ene = jnp.sum(
elist
)
jax.debug.print("elist: {}", elist)

return ene

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