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Fix variables compatibility with chunk arrays

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When using variables with chunk computes that produce arrays (such as `compute chunk/atom`) the compute will not have set `size_array_rows` to the appropriate value before it has ever been called and will therefore incorrectly have thrown the error "Variable formula compute array is zero length".
This commit is contained in:
Tim Bernhard
2024-03-10 12:56:33 +01:00
committed by GitHub
parent 8819275824
commit 1b7bc36505
1 changed files with 4 additions and 4 deletions
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8
src/variable.cpp
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@ -1657,10 +1657,6 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
if (!compute->array_flag)
print_var_error(FLERR,"Mismatched compute in variable formula",ivar);
if (compute->size_array_rows == 0)
print_var_error(FLERR,"Variable formula compute array is zero length",ivar);
if (index1 > compute->size_array_cols)
print_var_error(FLERR,"Variable formula compute array is accessed out-of-range",ivar,0);
if (!compute->is_initialized())
print_var_error(FLERR,"Variable formula compute cannot be invoked before "
"initialization by a run",ivar);
@ -1668,6 +1664,10 @@ double Variable::evaluate(char *str, Tree **tree, int ivar)
compute->compute_array();
compute->invoked_flag |= Compute::INVOKED_ARRAY;
}
if (compute->size_array_rows == 0)
print_var_error(FLERR,"Variable formula compute array is zero length",ivar);
if (index1 > compute->size_array_cols)
print_var_error(FLERR,"Variable formula compute array is accessed out-of-range",ivar,0);
auto newtree = new Tree();
newtree->type = VECTORARRAY;