From 99d5957a01ceb51fbae8ec6d261c679ab06331f1 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Thu, 22 Feb 2018 08:42:36 -0500
Subject: [PATCH] make default argument of virtual function Neighbor::build()
explicit
---
src/KOKKOS/verlet_kokkos.cpp | 6 +++---
src/MC/fix_atom_swap.cpp | 10 +++++-----
src/MC/fix_gcmc.cpp | 2 +-
src/REPLICA/verlet_split.cpp | 2 +-
src/USER-INTEL/verlet_lrt_intel.cpp | 4 ++--
src/USER-MISC/fix_srp.cpp | 2 +-
src/USER-OMP/respa_omp.cpp | 6 +++---
src/USER-UEF/fix_nh_uef.cpp | 4 ++--
src/create_bonds.cpp | 2 +-
src/delete_atoms.cpp | 2 +-
src/min.cpp | 6 +++---
src/neighbor.h | 2 +-
src/respa.cpp | 6 +++---
src/verlet.cpp | 6 +++---
14 files changed, 30 insertions(+), 30 deletions(-)
diff --git a/src/KOKKOS/verlet_kokkos.cpp b/src/KOKKOS/verlet_kokkos.cpp
index 5fa03a0989..b2b107284e 100644
--- a/src/KOKKOS/verlet_kokkos.cpp
+++ b/src/KOKKOS/verlet_kokkos.cpp
@@ -119,7 +119,7 @@ void VerletKokkos::setup(int flag)
atomKK->modified(Host,ALL_MASK);
- neighbor->build();
+ neighbor->build(1);
neighbor->ncalls = 0;
// compute all forces
@@ -222,7 +222,7 @@ void VerletKokkos::setup_minimal(int flag)
atomKK->modified(Host,ALL_MASK);
- neighbor->build();
+ neighbor->build(1);
neighbor->ncalls = 0;
}
@@ -378,7 +378,7 @@ void VerletKokkos::run(int n)
modify->pre_neighbor();
timer->stamp(Timer::MODIFY);
}
- neighbor->build();
+ neighbor->build(1);
timer->stamp(Timer::NEIGH);
}
diff --git a/src/MC/fix_atom_swap.cpp b/src/MC/fix_atom_swap.cpp
index 80bebefec0..6500707bf3 100644
--- a/src/MC/fix_atom_swap.cpp
+++ b/src/MC/fix_atom_swap.cpp
@@ -316,7 +316,7 @@ void FixAtomSwap::pre_exchange()
comm->borders();
if (domain->triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
if (modify->n_pre_neighbor) modify->pre_neighbor();
- neighbor->build();
+ neighbor->build(1);
energy_stored = energy_full();
@@ -366,7 +366,7 @@ int FixAtomSwap::attempt_semi_grand()
comm->borders();
if (domain->triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
if (modify->n_pre_neighbor) modify->pre_neighbor();
- neighbor->build();
+ neighbor->build(1);
} else {
comm->forward_comm_fix(this);
}
@@ -408,7 +408,7 @@ int FixAtomSwap::attempt_semi_grand()
comm->borders();
if (domain->triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
if (modify->n_pre_neighbor) modify->pre_neighbor();
- neighbor->build();
+ neighbor->build(1);
} else {
comm->forward_comm_fix(this);
}
@@ -447,7 +447,7 @@ int FixAtomSwap::attempt_swap()
comm->borders();
if (domain->triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
if (modify->n_pre_neighbor) modify->pre_neighbor();
- neighbor->build();
+ neighbor->build(1);
} else {
comm->forward_comm_fix(this);
}
@@ -489,7 +489,7 @@ int FixAtomSwap::attempt_swap()
comm->borders();
if (domain->triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
if (modify->n_pre_neighbor) modify->pre_neighbor();
- neighbor->build();
+ neighbor->build(1);
} else {
comm->forward_comm_fix(this);
}
diff --git a/src/MC/fix_gcmc.cpp b/src/MC/fix_gcmc.cpp
index f6843eb0a3..0230084490 100644
--- a/src/MC/fix_gcmc.cpp
+++ b/src/MC/fix_gcmc.cpp
@@ -2250,7 +2250,7 @@ double FixGCMC::energy_full()
comm->borders();
if (triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
if (modify->n_pre_neighbor) modify->pre_neighbor();
- neighbor->build();
+ neighbor->build(1);
int eflag = 1;
int vflag = 0;
diff --git a/src/REPLICA/verlet_split.cpp b/src/REPLICA/verlet_split.cpp
index 4572170f34..4a30f8c00b 100644
--- a/src/REPLICA/verlet_split.cpp
+++ b/src/REPLICA/verlet_split.cpp
@@ -344,7 +344,7 @@ void VerletSplit::run(int n)
if (triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
timer->stamp(Timer::COMM);
if (n_pre_neighbor) modify->pre_neighbor();
- neighbor->build();
+ neighbor->build(1);
timer->stamp(Timer::NEIGH);
}
}
diff --git a/src/USER-INTEL/verlet_lrt_intel.cpp b/src/USER-INTEL/verlet_lrt_intel.cpp
index 9ff5f85176..1b9c305e9c 100644
--- a/src/USER-INTEL/verlet_lrt_intel.cpp
+++ b/src/USER-INTEL/verlet_lrt_intel.cpp
@@ -142,7 +142,7 @@ void VerletLRTIntel::setup(int flag)
domain->image_check();
domain->box_too_small_check();
modify->setup_pre_neighbor();
- neighbor->build();
+ neighbor->build(1);
neighbor->ncalls = 0;
// compute all forces
@@ -276,7 +276,7 @@ void VerletLRTIntel::run(int n)
modify->pre_neighbor();
timer->stamp(Timer::MODIFY);
}
- neighbor->build();
+ neighbor->build(1);
timer->stamp(Timer::NEIGH);
}
diff --git a/src/USER-MISC/fix_srp.cpp b/src/USER-MISC/fix_srp.cpp
index e1e5f579b8..aeaf2f78ba 100644
--- a/src/USER-MISC/fix_srp.cpp
+++ b/src/USER-MISC/fix_srp.cpp
@@ -304,7 +304,7 @@ void FixSRP::setup_pre_force(int zz)
domain->image_check();
domain->box_too_small_check();
modify->setup_pre_neighbor();
- neighbor->build();
+ neighbor->build(1);
neighbor->ncalls = 0;
// new atom counts
diff --git a/src/USER-OMP/respa_omp.cpp b/src/USER-OMP/respa_omp.cpp
index aa4aa65a4f..e721842e48 100644
--- a/src/USER-OMP/respa_omp.cpp
+++ b/src/USER-OMP/respa_omp.cpp
@@ -107,7 +107,7 @@ void RespaOMP::setup()
domain->image_check();
domain->box_too_small_check();
modify->setup_pre_neighbor();
- neighbor->build();
+ neighbor->build(1);
modify->setup_post_neighbor();
neighbor->ncalls = 0;
@@ -200,7 +200,7 @@ void RespaOMP::setup_minimal(int flag)
domain->image_check();
domain->box_too_small_check();
modify->setup_pre_neighbor();
- neighbor->build();
+ neighbor->build(1);
modify->setup_post_neighbor();
neighbor->ncalls = 0;
}
@@ -311,7 +311,7 @@ void RespaOMP::recurse(int ilevel)
modify->pre_neighbor();
timer->stamp(Timer::MODIFY);
}
- neighbor->build();
+ neighbor->build(1);
timer->stamp(Timer::NEIGH);
if (modify->n_post_neighbor) {
modify->post_neighbor();
diff --git a/src/USER-UEF/fix_nh_uef.cpp b/src/USER-UEF/fix_nh_uef.cpp
index dd639c34db..36494b0d49 100644
--- a/src/USER-UEF/fix_nh_uef.cpp
+++ b/src/USER-UEF/fix_nh_uef.cpp
@@ -734,7 +734,7 @@ void FixNHUef::end_of_step()
comm->borders();
domain->lamda2x(atom->nlocal+atom->nghost);
timer->stamp(Timer::COMM);
- neighbor->build();
+ neighbor->build(1);
timer->stamp(Timer::NEIGH);
}
}
@@ -754,7 +754,7 @@ void FixNHUef::post_run()
comm->borders();
domain->lamda2x(atom->nlocal+atom->nghost);
timer->stamp(Timer::COMM);
- neighbor->build();
+ neighbor->build(1);
timer->stamp(Timer::NEIGH);
}
diff --git a/src/create_bonds.cpp b/src/create_bonds.cpp
index 4752002ac9..48f12406b6 100644
--- a/src/create_bonds.cpp
+++ b/src/create_bonds.cpp
@@ -209,7 +209,7 @@ void CreateBonds::many()
comm->exchange();
comm->borders();
if (domain->triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
- neighbor->build();
+ neighbor->build(1);
// build neighbor list this command needs based on earlier request
diff --git a/src/delete_atoms.cpp b/src/delete_atoms.cpp
index 489c5bf5d5..a5b15f5f52 100644
--- a/src/delete_atoms.cpp
+++ b/src/delete_atoms.cpp
@@ -311,7 +311,7 @@ void DeleteAtoms::delete_overlap(int narg, char **arg)
comm->exchange();
comm->borders();
if (domain->triclinic) domain->lamda2x(atom->nlocal+atom->nghost);
- neighbor->build();
+ neighbor->build(1);
// build neighbor list this command needs based on earlier request
diff --git a/src/min.cpp b/src/min.cpp
index 653cac71e6..0caa9a9acf 100644
--- a/src/min.cpp
+++ b/src/min.cpp
@@ -245,7 +245,7 @@ void Min::setup(int flag)
domain->image_check();
domain->box_too_small_check();
modify->setup_pre_neighbor();
- neighbor->build();
+ neighbor->build(1);
modify->setup_post_neighbor();
neighbor->ncalls = 0;
@@ -345,7 +345,7 @@ void Min::setup_minimal(int flag)
domain->image_check();
domain->box_too_small_check();
modify->setup_pre_neighbor();
- neighbor->build();
+ neighbor->build(1);
modify->setup_post_neighbor();
neighbor->ncalls = 0;
}
@@ -508,7 +508,7 @@ double Min::energy_force(int resetflag)
modify->min_pre_neighbor();
timer->stamp(Timer::MODIFY);
}
- neighbor->build();
+ neighbor->build(1);
timer->stamp(Timer::NEIGH);
if (modify->n_min_post_neighbor) {
modify->min_post_neighbor();
diff --git a/src/neighbor.h b/src/neighbor.h
index 9244bc575d..c054cddb2b 100644
--- a/src/neighbor.h
+++ b/src/neighbor.h
@@ -111,7 +111,7 @@ class Neighbor : protected Pointers {
int decide(); // decide whether to build or not
virtual int check_distance(); // check max distance moved since last build
void setup_bins(); // setup bins based on box and cutoff
- virtual void build(int topoflag=1); // build all perpetual neighbor lists
+ virtual void build(int); // build all perpetual neighbor lists
virtual void build_topology(); // pairwise topology neighbor lists
void build_one(class NeighList *list, int preflag=0);
// create a one-time pairwise neigh list
diff --git a/src/respa.cpp b/src/respa.cpp
index 23cd941834..18630c06d6 100644
--- a/src/respa.cpp
+++ b/src/respa.cpp
@@ -441,7 +441,7 @@ void Respa::setup(int flag)
domain->image_check();
domain->box_too_small_check();
modify->setup_pre_neighbor();
- neighbor->build();
+ neighbor->build(1);
modify->setup_post_neighbor();
neighbor->ncalls = 0;
@@ -517,7 +517,7 @@ void Respa::setup_minimal(int flag)
domain->image_check();
domain->box_too_small_check();
modify->setup_pre_neighbor();
- neighbor->build();
+ neighbor->build(1);
modify->setup_post_neighbor();
neighbor->ncalls = 0;
}
@@ -668,7 +668,7 @@ void Respa::recurse(int ilevel)
modify->pre_neighbor();
timer->stamp(Timer::MODIFY);
}
- neighbor->build();
+ neighbor->build(1);
timer->stamp(Timer::NEIGH);
if (modify->n_post_neighbor) {
modify->post_neighbor();
diff --git a/src/verlet.cpp b/src/verlet.cpp
index d74906556b..019f3f2f05 100644
--- a/src/verlet.cpp
+++ b/src/verlet.cpp
@@ -120,7 +120,7 @@ void Verlet::setup(int flag)
domain->image_check();
domain->box_too_small_check();
modify->setup_pre_neighbor();
- neighbor->build();
+ neighbor->build(1);
modify->setup_post_neighbor();
neighbor->ncalls = 0;
@@ -182,7 +182,7 @@ void Verlet::setup_minimal(int flag)
domain->image_check();
domain->box_too_small_check();
modify->setup_pre_neighbor();
- neighbor->build();
+ neighbor->build(1);
modify->setup_post_neighbor();
neighbor->ncalls = 0;
}
@@ -284,7 +284,7 @@ void Verlet::run(int n)
modify->pre_neighbor();
timer->stamp(Timer::MODIFY);
}
- neighbor->build();
+ neighbor->build(1);
timer->stamp(Timer::NEIGH);
if (n_post_neighbor) {
modify->post_neighbor();
--
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