From 85c345cf2d4040889e4043e47eb276db1dfafb2c Mon Sep 17 00:00:00 2001 From: Eddy Barraud Date: Fri, 7 Jun 2024 16:51:32 +0200 Subject: [PATCH] duplicate calc of r --- lib/gpu/lal_dpd_charged.cu | 4 ---- 1 file changed, 4 deletions(-) diff --git a/lib/gpu/lal_dpd_charged.cu b/lib/gpu/lal_dpd_charged.cu index cf6c79c477..8f25210a83 100644 --- a/lib/gpu/lal_dpd_charged.cu +++ b/lib/gpu/lal_dpd_charged.cu @@ -292,8 +292,6 @@ __kernel void k_dpd_charged(const __global numtyp4 *restrict x_, if ( cutsq[mtype].w != 0.0 && rsq < cutsq[mtype].w){ numtyp r2inv=ucl_recip(rsq); numtyp _erfc; - - numtyp r = ucl_rsqrt(r2inv); numtyp grij = g_ewald * r; numtyp expm2 = ucl_exp(-grij*grij); numtyp t = ucl_recip((numtyp)1.0 + EWALD_P*grij); @@ -478,8 +476,6 @@ __kernel void k_dpd_charged_fast(const __global numtyp4 *restrict x_, if ( cutsq[mtype].w != 0.0 && rsq < cutsq[mtype].w){ numtyp r2inv=ucl_recip(rsq); numtyp _erfc; - - numtyp r = ucl_rsqrt(r2inv); numtyp grij = g_ewald * r; numtyp expm2 = ucl_exp(-grij*grij); numtyp t = ucl_recip((numtyp)1.0 + EWALD_P*grij);