From c0cf50bce551dbe5009b8a874111340540995080 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 27 Feb 2017 18:19:59 -0500 Subject: [PATCH 1/3] trigger recomputing ichunk between runs unless requested otherwise this fixes #390 --- src/compute_chunk_atom.cpp | 1 + 1 file changed, 1 insertion(+) diff --git a/src/compute_chunk_atom.cpp b/src/compute_chunk_atom.cpp index 925c5fbf81..1d9cfa22df 100644 --- a/src/compute_chunk_atom.cpp +++ b/src/compute_chunk_atom.cpp @@ -616,6 +616,7 @@ void ComputeChunkAtom::setup() { if (nchunkflag == ONCE) setup_chunks(); if (idsflag == ONCE) compute_ichunk(); + else invoked_ichunk = -1; } /* ---------------------------------------------------------------------- From b921b69f4792238a364838602437ceeb50cac704 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 27 Feb 2017 18:22:21 -0500 Subject: [PATCH 2/3] implement bugfix from issue #388 this closes #388 --- src/region_block.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/region_block.cpp b/src/region_block.cpp index f1787d2ca2..769edb1489 100644 --- a/src/region_block.cpp +++ b/src/region_block.cpp @@ -401,7 +401,7 @@ double RegBlock::find_closest_point(int i, double *x, zc = p[2]; } - point_on_line_segment(corners[i][3],corners[i][4],x,p); + point_on_line_segment(corners[i][3],corners[i][0],x,p); d2 = (p[0]-x[0])*(p[0]-x[0]) + (p[1]-x[1])*(p[1]-x[1]) + (p[2]-x[2])*(p[2]-x[2]); if (d2 < d2min) { From eaf7ed7707507ed6b012470820b7a7b737743fd4 Mon Sep 17 00:00:00 2001 From: Anders Hafreager Date: Thu, 2 Mar 2017 21:25:27 -0800 Subject: [PATCH 3/3] Print error if pair_write does not get correct number of arguments --- src/pair.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/pair.cpp b/src/pair.cpp index 5d73a592e8..685280cfce 100644 --- a/src/pair.cpp +++ b/src/pair.cpp @@ -1534,7 +1534,7 @@ void Pair::virial_fdotr_compute() void Pair::write_file(int narg, char **arg) { - if (narg < 8) error->all(FLERR,"Illegal pair_write command"); + if (narg != 8 && narg != 10) error->all(FLERR,"Illegal pair_write command"); if (single_enable == 0) error->all(FLERR,"Pair style does not support pair_write");