From 6ccf5f107c3767b0f1e42b4ced7cee141aaebff5 Mon Sep 17 00:00:00 2001 From: John Lucas Date: Sun, 18 Jun 2023 20:39:18 -0500 Subject: [PATCH 1/2] fix a bug in fix pair --- src/fix_pair.cpp | 5 ++++- 1 file changed, 4 insertions(+), 1 deletion(-) diff --git a/src/fix_pair.cpp b/src/fix_pair.cpp index 81e62ba966..66212684a8 100644 --- a/src/fix_pair.cpp +++ b/src/fix_pair.cpp @@ -283,11 +283,14 @@ void FixPair::post_force(int /*vflag*/) } else { double **parray = (double **) pvoid; - for (int i = 0; i < nlocal; i++) + int icoltmp = icol; + for (int i = 0; i < nlocal; i++) { + icol = icoltmp; for (int m = 0; m < columns; m++) { array[i][icol] = parray[i][m]; icol++; } + } } } From 542aa203dad3b18602b8b4ff58a1292ba4bb7f71 Mon Sep 17 00:00:00 2001 From: John Lucas Date: Sun, 18 Jun 2023 20:42:45 -0500 Subject: [PATCH 2/2] correct typo in fix pair documentation --- doc/src/fix_pair.rst | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/doc/src/fix_pair.rst b/doc/src/fix_pair.rst index 44c91f18ee..07e934d1c0 100644 --- a/doc/src/fix_pair.rst +++ b/doc/src/fix_pair.rst @@ -85,7 +85,7 @@ columns 4-6 will store the "uinp" values. .. code-block:: LAMMPS pair_style amoeba - fix ex all pair amoeba 10 uind 0 uinp 0 + fix ex all pair 10 amoeba uind 0 uinp 0 Restart, fix_modify, output, run start/stop, minimize info """""""""""""""""""""""""""""""""""""""""""""""""""""""""""