From c8b485a2dff6ca639fedc639be481a74b8fd45da Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 21 Aug 2024 17:48:01 -0400 Subject: [PATCH] improve error message --- doc/src/run_style.rst | 3 ++- src/REPLICA/verlet_split.cpp | 3 ++- 2 files changed, 4 insertions(+), 2 deletions(-) diff --git a/doc/src/run_style.rst b/doc/src/run_style.rst index c06cef4296..d6a4676857 100644 --- a/doc/src/run_style.rst +++ b/doc/src/run_style.rst @@ -332,7 +332,8 @@ only if the OPENMP package was included. See the :doc:`Build package ` page for more info. Run style *verlet/split* is not compatible with kspace styles from -the INTEL package and it is not compatible with any TIP4P styles. +the INTEL package and it is not compatible with any tip4p, dipole, +or spin kspace styles. Whenever using rRESPA, the user should experiment with trade-offs in speed and accuracy for their system, and verify that they are diff --git a/src/REPLICA/verlet_split.cpp b/src/REPLICA/verlet_split.cpp index fce2268c5d..b270ad445d 100644 --- a/src/REPLICA/verlet_split.cpp +++ b/src/REPLICA/verlet_split.cpp @@ -229,7 +229,8 @@ void VerletSplit::init() if (force->kspace->dipoleflag) errflag = 1; if (force->kspace->spinflag) errflag = 1; - if (errflag) error->all(FLERR,"Verlet/split cannot (yet) be used with this KSpace method"); + if (errflag) + error->all(FLERR,"Verlet/split cannot (yet) be used with kpace style {}", force->kspace_style); // partial support for TIP4P, see where this flag is used below