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duplicate calc of r

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This commit is contained in:
Eddy Barraud
2024-06-07 16:51:32 +02:00
parent f5b2eb3a80
commit 85c345cf2d
1 changed files with 0 additions and 4 deletions
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4
lib/gpu/lal_dpd_charged.cu
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@ -292,8 +292,6 @@ __kernel void k_dpd_charged(const __global numtyp4 *restrict x_,
if ( cutsq[mtype].w != 0.0 && rsq < cutsq[mtype].w){ if ( cutsq[mtype].w != 0.0 && rsq < cutsq[mtype].w){
numtyp r2inv=ucl_recip(rsq); numtyp r2inv=ucl_recip(rsq);
numtyp _erfc; numtyp _erfc;
numtyp r = ucl_rsqrt(r2inv);
numtyp grij = g_ewald * r; numtyp grij = g_ewald * r;
numtyp expm2 = ucl_exp(-grij*grij); numtyp expm2 = ucl_exp(-grij*grij);
numtyp t = ucl_recip((numtyp)1.0 + EWALD_P*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){ if ( cutsq[mtype].w != 0.0 && rsq < cutsq[mtype].w){
numtyp r2inv=ucl_recip(rsq); numtyp r2inv=ucl_recip(rsq);
numtyp _erfc; numtyp _erfc;
numtyp r = ucl_rsqrt(r2inv);
numtyp grij = g_ewald * r; numtyp grij = g_ewald * r;
numtyp expm2 = ucl_exp(-grij*grij); numtyp expm2 = ucl_exp(-grij*grij);
numtyp t = ucl_recip((numtyp)1.0 + EWALD_P*grij); numtyp t = ucl_recip((numtyp)1.0 + EWALD_P*grij);