From fa8be999763d621295a5216de2f05958d3bd0e8d Mon Sep 17 00:00:00 2001 From: Adrian Hurtado Date: Wed, 25 Oct 2023 19:50:21 -0400 Subject: [PATCH] Always copy all states. Not just active ones --- src/apps/molresponse/x_space.h | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/apps/molresponse/x_space.h b/src/apps/molresponse/x_space.h index 2e19d556d10..3948cb45d95 100644 --- a/src/apps/molresponse/x_space.h +++ b/src/apps/molresponse/x_space.h @@ -57,7 +57,7 @@ namespace madness { [[nodiscard]] X_space copy() const { auto &world = x[0][0].world(); auto new_x = X_space(*this);// copy - for (const auto &i: active) { + for (int i = 0; i < new_x.num_states(); i++) { new_x.x[i] = madness::copy(world, x[i], false); new_x.y[i] = madness::copy(world, y[i], false); }