explicitly disallow angle_write with angle_style class2

2022-12-25 06:54:40 -05:00
parent c4f2befb1f
commit a4f8cb9a92
1 changed files with 4 additions and 0 deletions
--- a/src/angle_write.cpp
+++ b/src/angle_write.cpp
@ -51,6 +51,10 @@ void AngleWrite::command(int narg, char **arg)
  if (angle && (force->angle->writedata == 0))
    error->all(FLERR, "Angle style must support writing coeffs to data file for angle_write");

+  if (angle && (utils::strmatch(force->angle_style, "^class2")))
+    error->all(FLERR, "Angle_write command is not compatible with angle style {}",
+               force->angle_style);
+
  // parse arguments

  if (narg != 4) error->all(FLERR, "Illegal angle_write command");