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Clang-format of nb-fep-kernel
authorSebastian Kehl <sebastian.kehl@mpcdf.mpg.de>
Wed, 29 Sep 2021 10:26:07 +0000 (12:26 +0200)
committerSebastian Kehl <sebastian.kehl@mpcdf.mpg.de>
Wed, 29 Sep 2021 10:34:58 +0000 (12:34 +0200)
src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp patch | blob | history
src/gromacs/gmxlib/nonbonded/nb_free_energy.h patch | blob | history

diff --git a/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp b/src/gromacs/gmxlib/nonbonded/nb_free_energy.cpp
index 45e09c25bc9169a97087f59b92e16f271236d0b1..ad316bd5da5020a31631387cbb416f019b398993 100644 (file)
--- 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 d5c3188067a39045a1e145a98b69cd2571d6c0db..e942afbf1bd2c03983e33b569cceed0d329f21c9 100644 (file)
--- 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
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