From: Sebastian Kehl <sebastian.kehl@mpcdf.mpg.de>
Date: Wed, 29 Sep 2021 10:26:07 +0000 (+0200)
Subject: Clang-format of nb-fep-kernel
X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=commitdiff_plain;h=bf7e875a3eeb95bc98872c7e738ece9ec93fdfab;p=alexxy%2Fgromacs.git

Clang-format of nb-fep-kernel
---

diff --git a/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp b/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp
index 45e09c25bc..ad316bd5da 100644
--- a/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp
+++ b/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp
@@ -233,26 +233,26 @@ static inline RealType potSwitchPotentialMod(const RealType potentialInp, const
 
 //! Templated free-energy non-bonded kernel
 template<typename DataTypes, bool useSoftCore, bool scLambdasOrAlphasDiffer, bool vdwInteractionTypeIsEwald, bool elecInteractionTypeIsEwald, bool vdwModifierIsPotSwitch>
-static void nb_free_energy_kernel(const t_nblist&                           nlist,
+static void nb_free_energy_kernel(const t_nblist&                                  nlist,
                                   const gmx::ArrayRefWithPadding<const gmx::RVec>& coords,
-                                  const int                                 ntype,
-                                  const real                                rlist,
-                                  const interaction_const_t&                ic,
-                                  gmx::ArrayRef<const gmx::RVec>            shiftvec,
-                                  gmx::ArrayRef<const real>                 nbfp,
-                                  gmx::ArrayRef<const real> gmx_unused      nbfp_grid,
-                                  gmx::ArrayRef<const real>                 chargeA,
-                                  gmx::ArrayRef<const real>                 chargeB,
-                                  gmx::ArrayRef<const int>                  typeA,
-                                  gmx::ArrayRef<const int>                  typeB,
-                                  int                                       flags,
-                                  gmx::ArrayRef<const real>                 lambda,
-                                  t_nrnb* gmx_restrict                      nrnb,
-                                  gmx::RVec*                                threadForceBuffer,
-                                  rvec*                                     threadForceShiftBuffer,
-                                  gmx::ArrayRef<real>                       threadVc,
-                                  gmx::ArrayRef<real>                       threadVv,
-                                  gmx::ArrayRef<real>                       threadDvdl)
+                                  const int                                        ntype,
+                                  const real                                       rlist,
+                                  const interaction_const_t&                       ic,
+                                  gmx::ArrayRef<const gmx::RVec>                   shiftvec,
+                                  gmx::ArrayRef<const real>                        nbfp,
+                                  gmx::ArrayRef<const real> gmx_unused             nbfp_grid,
+                                  gmx::ArrayRef<const real>                        chargeA,
+                                  gmx::ArrayRef<const real>                        chargeB,
+                                  gmx::ArrayRef<const int>                         typeA,
+                                  gmx::ArrayRef<const int>                         typeB,
+                                  int                                              flags,
+                                  gmx::ArrayRef<const real>                        lambda,
+                                  t_nrnb* gmx_restrict                             nrnb,
+                                  gmx::RVec*          threadForceBuffer,
+                                  rvec*               threadForceShiftBuffer,
+                                  gmx::ArrayRef<real> threadVc,
+                                  gmx::ArrayRef<real> threadVv,
+                                  gmx::ArrayRef<real> threadDvdl)
 {
 #define STATE_A 0
 #define STATE_B 1
@@ -970,26 +970,26 @@ static void nb_free_energy_kernel(const t_nblist&                           nlis
     }
 }
 
-typedef void (*KernelFunction)(const t_nblist&                           nlist,
+typedef void (*KernelFunction)(const t_nblist&                                  nlist,
                                const gmx::ArrayRefWithPadding<const gmx::RVec>& coords,
-                               const int                                 ntype,
-                               const real                                rlist,
-                               const interaction_const_t&                ic,
-                               gmx::ArrayRef<const gmx::RVec>            shiftvec,
-                               gmx::ArrayRef<const real>                 nbfp,
-                               gmx::ArrayRef<const real>                 nbfp_grid,
-                               gmx::ArrayRef<const real>                 chargeA,
-                               gmx::ArrayRef<const real>                 chargeB,
-                               gmx::ArrayRef<const int>                  typeA,
-                               gmx::ArrayRef<const int>                  typeB,
-                               int                                       flags,
-                               gmx::ArrayRef<const real>                 lambda,
-                               t_nrnb* gmx_restrict                      nrnb,
-                               gmx::RVec*                                threadForceBuffer,
-                               rvec*                                     threadForceShiftBuffer,
-                               gmx::ArrayRef<real>                       threadVc,
-                               gmx::ArrayRef<real>                       threadVv,
-                               gmx::ArrayRef<real>                       threadDvdl);
+                               const int                                        ntype,
+                               const real                                       rlist,
+                               const interaction_const_t&                       ic,
+                               gmx::ArrayRef<const gmx::RVec>                   shiftvec,
+                               gmx::ArrayRef<const real>                        nbfp,
+                               gmx::ArrayRef<const real>                        nbfp_grid,
+                               gmx::ArrayRef<const real>                        chargeA,
+                               gmx::ArrayRef<const real>                        chargeB,
+                               gmx::ArrayRef<const int>                         typeA,
+                               gmx::ArrayRef<const int>                         typeB,
+                               int                                              flags,
+                               gmx::ArrayRef<const real>                        lambda,
+                               t_nrnb* gmx_restrict                             nrnb,
+                               gmx::RVec*                                       threadForceBuffer,
+                               rvec*               threadForceShiftBuffer,
+                               gmx::ArrayRef<real> threadVc,
+                               gmx::ArrayRef<real> threadVv,
+                               gmx::ArrayRef<real> threadDvdl);
 
 template<bool useSoftCore, bool scLambdasOrAlphasDiffer, bool vdwInteractionTypeIsEwald, bool elecInteractionTypeIsEwald, bool vdwModifierIsPotSwitch>
 static KernelFunction dispatchKernelOnUseSimd(const bool useSimd)
@@ -1103,27 +1103,27 @@ static KernelFunction dispatchKernel(const bool                 scLambdasOrAlpha
 }
 
 
-void gmx_nb_free_energy_kernel(const t_nblist&                           nlist,
+void gmx_nb_free_energy_kernel(const t_nblist&                                  nlist,
                                const gmx::ArrayRefWithPadding<const gmx::RVec>& coords,
-                               const bool                                useSimd,
-                               const int                                 ntype,
-                               const real                                rlist,
-                               const interaction_const_t&                ic,
-                               gmx::ArrayRef<const gmx::RVec>            shiftvec,
-                               gmx::ArrayRef<const real>                 nbfp,
-                               gmx::ArrayRef<const real>                 nbfp_grid,
-                               gmx::ArrayRef<const real>                 chargeA,
-                               gmx::ArrayRef<const real>                 chargeB,
-                               gmx::ArrayRef<const int>                  typeA,
-                               gmx::ArrayRef<const int>                  typeB,
-                               int                                       flags,
-                               gmx::ArrayRef<const real>                 lambda,
-                               t_nrnb*                                   nrnb,
-                               gmx::RVec*                                threadForceBuffer,
-                               rvec*                                     threadForceShiftBuffer,
-                               gmx::ArrayRef<real>                       threadVc,
-                               gmx::ArrayRef<real>                       threadVv,
-                               gmx::ArrayRef<real>                       threadDvdl)
+                               const bool                                       useSimd,
+                               const int                                        ntype,
+                               const real                                       rlist,
+                               const interaction_const_t&                       ic,
+                               gmx::ArrayRef<const gmx::RVec>                   shiftvec,
+                               gmx::ArrayRef<const real>                        nbfp,
+                               gmx::ArrayRef<const real>                        nbfp_grid,
+                               gmx::ArrayRef<const real>                        chargeA,
+                               gmx::ArrayRef<const real>                        chargeB,
+                               gmx::ArrayRef<const int>                         typeA,
+                               gmx::ArrayRef<const int>                         typeB,
+                               int                                              flags,
+                               gmx::ArrayRef<const real>                        lambda,
+                               t_nrnb*                                          nrnb,
+                               gmx::RVec*                                       threadForceBuffer,
+                               rvec*               threadForceShiftBuffer,
+                               gmx::ArrayRef<real> threadVc,
+                               gmx::ArrayRef<real> threadVv,
+                               gmx::ArrayRef<real> threadDvdl)
 {
     GMX_ASSERT(EEL_PME_EWALD(ic.eeltype) || ic.eeltype == CoulombInteractionType::Cut || EEL_RF(ic.eeltype),
                "Unsupported eeltype with free energy");
diff --git a/src/gromacs/gmxlib/nonbonded/nb_free_energy.h b/src/gromacs/gmxlib/nonbonded/nb_free_energy.h
index d5c3188067..e942afbf1b 100644
--- a/src/gromacs/gmxlib/nonbonded/nb_free_energy.h
+++ b/src/gromacs/gmxlib/nonbonded/nb_free_energy.h
@@ -53,26 +53,26 @@ template<typename>
 class ArrayRefWithPadding;
 } // namespace gmx
 
-void gmx_nb_free_energy_kernel(const t_nblist&                           nlist,
+void gmx_nb_free_energy_kernel(const t_nblist&                                  nlist,
                                const gmx::ArrayRefWithPadding<const gmx::RVec>& coords,
-                               bool                                      useSimd,
-                               int                                       ntype,
-                               real                                      rlist,
-                               const interaction_const_t&                ic,
-                               gmx::ArrayRef<const gmx::RVec>            shiftvec,
-                               gmx::ArrayRef<const real>                 nbfp,
-                               gmx::ArrayRef<const real>                 nbfp_grid,
-                               gmx::ArrayRef<const real>                 chargeA,
-                               gmx::ArrayRef<const real>                 chargeB,
-                               gmx::ArrayRef<const int>                  typeA,
-                               gmx::ArrayRef<const int>                  typeB,
-                               int                                       flags,
-                               gmx::ArrayRef<const real>                 lambda,
-                               t_nrnb* gmx_restrict                      nrnb,
-                               gmx::RVec*                                threadForceBuffer,
-                               rvec*                                     threadForceShiftBuffer,
-                               gmx::ArrayRef<real>                       threadVc,
-                               gmx::ArrayRef<real>                       threadVv,
-                               gmx::ArrayRef<real>                       threadDvdl);
+                               bool                                             useSimd,
+                               int                                              ntype,
+                               real                                             rlist,
+                               const interaction_const_t&                       ic,
+                               gmx::ArrayRef<const gmx::RVec>                   shiftvec,
+                               gmx::ArrayRef<const real>                        nbfp,
+                               gmx::ArrayRef<const real>                        nbfp_grid,
+                               gmx::ArrayRef<const real>                        chargeA,
+                               gmx::ArrayRef<const real>                        chargeB,
+                               gmx::ArrayRef<const int>                         typeA,
+                               gmx::ArrayRef<const int>                         typeB,
+                               int                                              flags,
+                               gmx::ArrayRef<const real>                        lambda,
+                               t_nrnb* gmx_restrict                             nrnb,
+                               gmx::RVec*                                       threadForceBuffer,
+                               rvec*               threadForceShiftBuffer,
+                               gmx::ArrayRef<real> threadVc,
+                               gmx::ArrayRef<real> threadVv,
+                               gmx::ArrayRef<real> threadDvdl);
 
 #endif