fixed excessive mem use by del a.calc in relax

cbb639d9 · Malthe Kjær Bisbo · fb36acfa · cbb639d9 · cbb639d9 · cbb639d9
Commit cbb639d9 authored 3 years ago by Malthe Kjær Bisbo
--- a/gofee/__pycache__/population.cpython-36.pyc
+++ b/gofee/__pycache__/population.cpython-36.pyc
--- a/gofee/__pycache__/utils.cpython-36.pyc
+++ b/gofee/__pycache__/utils.cpython-36.pyc
--- a/gofee/bfgslinesearch_constrained.py
+++ b/gofee/bfgslinesearch_constrained.py
@@ -143,4 +143,5 @@ def relax(structure, calc, Fmax=0.01, steps_max=200, max_relax_dist=None, positi
        traceback.print_exc()
        traceback.print_exc(file=sys.stderr)
        termination_cause = 'error'
+    del a.calc
    return a, termination_cause
\ No newline at end of file
--- a/gofee/candidates/__pycache__/basic_mutations.cpython-36.pyc
+++ b/gofee/candidates/__pycache__/basic_mutations.cpython-36.pyc
--- a/gofee/candidates/__pycache__/candidate_generation.cpython-36.pyc
+++ b/gofee/candidates/__pycache__/candidate_generation.cpython-36.pyc
--- a/gofee/surrogate/__pycache__/gpr_calculator.cpython-36.pyc
+++ b/gofee/surrogate/__pycache__/gpr_calculator.cpython-36.pyc