From 090e70fbff099c26e4627dd2144e1ccb32632ed4 Mon Sep 17 00:00:00 2001 From: Joroks Date: Mon, 8 Jul 2024 11:13:32 +0200 Subject: [PATCH] fix gather/scatter type verification --- src/LAMMPS.jl | 10 +--------- 1 file changed, 1 insertion(+), 9 deletions(-) diff --git a/src/LAMMPS.jl b/src/LAMMPS.jl index 2cb2502..2ecd2b1 100644 --- a/src/LAMMPS.jl +++ b/src/LAMMPS.jl @@ -616,10 +616,6 @@ Compute entities have the prefix `c_`, fix entities use the prefix `f_`, and per The returned Array is decoupled from the internal state of the LAMMPS instance. -!!! warning "Type Verification" - Due to how the underlying C-API works, it's not possible to verify the element data-type of fix or compute style data. - Supplying the wrong data-type will not throw an error but will result in nonsensical output - !!! warning "ids" The optional parameter `ids` only works, if there is a map defined. For example by doing: `command(lmp, "atom_modify map yes")` @@ -659,10 +655,6 @@ The optional parameter `ids` determines to which subset of atoms the data will b Compute entities have the prefix `c_`, fix entities use the prefix `f_`, and per-atom entites have no prefix. -!!! warning "Type Verification" - Due to how the underlying C-API works, it's not possible to verify the element data-type of fix or compute style data. - Supplying the wrong data-type will not throw an error but will result in nonsensical date being supplied to the LAMMPS instance. - !!! warning "ids" The optional parameter `ids` only works, if there is a map defined. For example by doing: `command(lmp, "atom_modify map yes")` @@ -732,7 +724,7 @@ end function _get_T(lmp::LMP, name::String) if startswith(name, r"[f,c]_") - return missing # As far as I know, it's not possible to determine the datatype of computes or fixes at runtime + return Float64 end type = API.lammps_extract_atom_datatype(lmp, name)