From 9036a7731e7c3fa01bc7c7458bdd5f48fdc48c71 Mon Sep 17 00:00:00 2001 From: Susi Lehtola Date: Sun, 17 Nov 2024 21:48:34 +0200 Subject: [PATCH] This is has been used as an auxiliary basis --- basis_set_exchange/data/METADATA.json | 4 ++-- basis_set_exchange/data/epc-10s10p10d10f.1.table.json | 2 +- basis_set_exchange/data/epc-10s10p10d10f.metadata.json | 2 +- 3 files changed, 4 insertions(+), 4 deletions(-) diff --git a/basis_set_exchange/data/METADATA.json b/basis_set_exchange/data/METADATA.json index 00c07225..f08fa090 100644 --- a/basis_set_exchange/data/METADATA.json +++ b/basis_set_exchange/data/METADATA.json @@ -28312,7 +28312,7 @@ "basename": "epc-10s10p10d10f", "relpath": "", "family": "pb", - "role": "orbital", + "role": "jkfit", "function_types": [ "gto", "gto_spherical" @@ -28322,7 +28322,7 @@ "1": { "file_relpath": "epc-10s10p10d10f.1.table.json", "revdesc": "Data from article", - "revdate": "2024-11-11", + "revdate": "2024-11-17", "elements": [ "1" ] diff --git a/basis_set_exchange/data/epc-10s10p10d10f.1.table.json b/basis_set_exchange/data/epc-10s10p10d10f.1.table.json index c3b3fe8c..ff610bbc 100644 --- a/basis_set_exchange/data/epc-10s10p10d10f.1.table.json +++ b/basis_set_exchange/data/epc-10s10p10d10f.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from article", - "revision_date": "2024-11-11", + "revision_date": "2024-11-17", "elements": { "1": "pb/epc-10s10p10d10f.1.element.json" } diff --git a/basis_set_exchange/data/epc-10s10p10d10f.metadata.json b/basis_set_exchange/data/epc-10s10p10d10f.metadata.json index 1d0f467f..5817d480 100644 --- a/basis_set_exchange/data/epc-10s10p10d10f.metadata.json +++ b/basis_set_exchange/data/epc-10s10p10d10f.metadata.json @@ -9,6 +9,6 @@ "tags": [], "family": "pb", "description": "Even-tempered 8s8p8d protonic basis", - "role": "orbital", + "role": "jkfit", "auxiliaries": {} } \ No newline at end of file