diff --git a/basis_set_exchange/data/METADATA.json b/basis_set_exchange/data/METADATA.json index 8d77f78c..25c9e4ff 100644 --- a/basis_set_exchange/data/METADATA.json +++ b/basis_set_exchange/data/METADATA.json @@ -28106,7 +28106,7 @@ "1": { "file_relpath": "dyall-aae2z.1.table.json", "revdesc": "Data from https://zenodo.org/records/7574629", - "revdate": "2024-11-16", + "revdate": "2024-11-17", "elements": [ "1", "2", @@ -28219,7 +28219,7 @@ "1": { "file_relpath": "dyall-aae3z.1.table.json", "revdesc": "Data from https://zenodo.org/records/7574629", - "revdate": "2024-11-16", + "revdate": "2024-11-17", "elements": [ "1", "2", @@ -28332,7 +28332,7 @@ "1": { "file_relpath": "dyall-aae4z.1.table.json", "revdesc": "Data from https://zenodo.org/records/7574629", - "revdate": "2024-11-16", + "revdate": "2024-11-17", "elements": [ "1", "2", @@ -28445,7 +28445,7 @@ "1": { "file_relpath": "dyall-acv2z.1.table.json", "revdesc": "Data from https://zenodo.org/records/7574629", - "revdate": "2024-11-16", + "revdate": "2024-11-17", "elements": [ "1", "2", @@ -28558,7 +28558,7 @@ "1": { "file_relpath": "dyall-acv3z.1.table.json", "revdesc": "Data from https://zenodo.org/records/7574629", - "revdate": "2024-11-16", + "revdate": "2024-11-17", "elements": [ "1", "2", @@ -28671,7 +28671,7 @@ "1": { "file_relpath": "dyall-acv4z.1.table.json", "revdesc": "Data from https://zenodo.org/records/7574629", - "revdate": "2024-11-16", + "revdate": "2024-11-17", "elements": [ "1", "2", @@ -28784,7 +28784,7 @@ "1": { "file_relpath": "dyall-ae2z.1.table.json", "revdesc": "Data from https://zenodo.org/records/7574629", - "revdate": "2024-11-16", + "revdate": "2024-11-17", "elements": [ "1", "2", @@ -28927,7 +28927,7 @@ "1": { "file_relpath": "dyall-ae3z.1.table.json", "revdesc": "Data from https://zenodo.org/records/7574629", - "revdate": "2024-11-16", + "revdate": "2024-11-17", "elements": [ "1", "2", @@ -29070,7 +29070,7 @@ "1": { "file_relpath": "dyall-ae4z.1.table.json", "revdesc": "Data from https://zenodo.org/records/7574629", - "revdate": "2024-11-16", + "revdate": "2024-11-17", "elements": [ "1", "2", @@ -29213,7 +29213,7 @@ "1": { "file_relpath": "dyall-av2z.1.table.json", "revdesc": "Data from https://zenodo.org/records/7574629", - "revdate": "2024-11-16", + "revdate": "2024-11-17", "elements": [ "1", "2", @@ -29326,7 +29326,7 @@ "1": { "file_relpath": "dyall-av3z.1.table.json", "revdesc": "Data from https://zenodo.org/records/7574629", - "revdate": "2024-11-16", + "revdate": "2024-11-17", "elements": [ "1", "2", @@ -29439,7 +29439,7 @@ "1": { "file_relpath": "dyall-av4z.1.table.json", "revdesc": "Data from https://zenodo.org/records/7574629", - "revdate": "2024-11-16", + "revdate": "2024-11-17", "elements": [ "1", "2", @@ -29552,7 +29552,7 @@ "1": { "file_relpath": "dyall-cv2z.1.table.json", "revdesc": "Data from https://zenodo.org/records/7574629", - "revdate": "2024-11-16", + "revdate": "2024-11-17", "elements": [ "1", "2", @@ -29695,7 +29695,7 @@ "1": { "file_relpath": "dyall-cv3z.1.table.json", "revdesc": "Data from https://zenodo.org/records/7574629", - "revdate": "2024-11-16", + "revdate": "2024-11-17", "elements": [ "1", "2", @@ -29838,7 +29838,7 @@ "1": { "file_relpath": "dyall-cv4z.1.table.json", "revdesc": "Data from https://zenodo.org/records/7574629", - "revdate": "2024-11-16", + "revdate": "2024-11-17", "elements": [ "1", "2", @@ -29981,7 +29981,7 @@ "1": { "file_relpath": "dyall-v2z.1.table.json", "revdesc": "Data from https://zenodo.org/records/7574629", - "revdate": "2024-11-16", + "revdate": "2024-11-17", "elements": [ "1", "2", @@ -30124,7 +30124,7 @@ "1": { "file_relpath": "dyall-v3z.1.table.json", "revdesc": "Data from https://zenodo.org/records/7574629", - "revdate": "2024-11-16", + "revdate": "2024-11-17", "elements": [ "1", "2", @@ -30267,7 +30267,7 @@ "1": { "file_relpath": "dyall-v4z.1.table.json", "revdesc": "Data from https://zenodo.org/records/7574629", - "revdate": "2024-11-16", + "revdate": "2024-11-17", "elements": [ "1", "2", diff --git a/basis_set_exchange/data/dyall-aae2z.1.table.json b/basis_set_exchange/data/dyall-aae2z.1.table.json index 525d463f..07322d6f 100644 --- a/basis_set_exchange/data/dyall-aae2z.1.table.json +++ b/basis_set_exchange/data/dyall-aae2z.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from https://zenodo.org/records/7574629", - "revision_date": "2024-11-16", + "revision_date": "2024-11-17", "elements": { "1": "dyall/dyall-aae2z.1.element.json", "2": "dyall/dyall-aae2z.1.element.json", diff --git a/basis_set_exchange/data/dyall-aae3z.1.table.json b/basis_set_exchange/data/dyall-aae3z.1.table.json index 75685314..f4f505c7 100644 --- a/basis_set_exchange/data/dyall-aae3z.1.table.json +++ b/basis_set_exchange/data/dyall-aae3z.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from https://zenodo.org/records/7574629", - "revision_date": "2024-11-16", + "revision_date": "2024-11-17", "elements": { "1": "dyall/dyall-aae3z.1.element.json", "2": "dyall/dyall-aae3z.1.element.json", diff --git a/basis_set_exchange/data/dyall-aae4z.1.table.json b/basis_set_exchange/data/dyall-aae4z.1.table.json index 43229ae2..6695a025 100644 --- a/basis_set_exchange/data/dyall-aae4z.1.table.json +++ b/basis_set_exchange/data/dyall-aae4z.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from https://zenodo.org/records/7574629", - "revision_date": "2024-11-16", + "revision_date": "2024-11-17", "elements": { "1": "dyall/dyall-aae4z.1.element.json", "2": "dyall/dyall-aae4z.1.element.json", diff --git a/basis_set_exchange/data/dyall-acv2z.1.table.json b/basis_set_exchange/data/dyall-acv2z.1.table.json index ed9133ee..3e2b09bd 100644 --- a/basis_set_exchange/data/dyall-acv2z.1.table.json +++ b/basis_set_exchange/data/dyall-acv2z.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from https://zenodo.org/records/7574629", - "revision_date": "2024-11-16", + "revision_date": "2024-11-17", "elements": { "1": "dyall/dyall-acv2z.1.element.json", "2": "dyall/dyall-acv2z.1.element.json", diff --git a/basis_set_exchange/data/dyall-acv3z.1.table.json b/basis_set_exchange/data/dyall-acv3z.1.table.json index f443d988..a6dc0140 100644 --- a/basis_set_exchange/data/dyall-acv3z.1.table.json +++ b/basis_set_exchange/data/dyall-acv3z.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from https://zenodo.org/records/7574629", - "revision_date": "2024-11-16", + "revision_date": "2024-11-17", "elements": { "1": "dyall/dyall-acv3z.1.element.json", "2": "dyall/dyall-acv3z.1.element.json", diff --git a/basis_set_exchange/data/dyall-acv4z.1.table.json b/basis_set_exchange/data/dyall-acv4z.1.table.json index 9d3310be..967873d0 100644 --- a/basis_set_exchange/data/dyall-acv4z.1.table.json +++ b/basis_set_exchange/data/dyall-acv4z.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from https://zenodo.org/records/7574629", - "revision_date": "2024-11-16", + "revision_date": "2024-11-17", "elements": { "1": "dyall/dyall-acv4z.1.element.json", "2": "dyall/dyall-acv4z.1.element.json", diff --git a/basis_set_exchange/data/dyall-ae2z.1.table.json b/basis_set_exchange/data/dyall-ae2z.1.table.json index a8158306..b4445ebf 100644 --- a/basis_set_exchange/data/dyall-ae2z.1.table.json +++ b/basis_set_exchange/data/dyall-ae2z.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from https://zenodo.org/records/7574629", - "revision_date": "2024-11-16", + "revision_date": "2024-11-17", "elements": { "1": "dyall/dyall-ae2z.1.element.json", "2": "dyall/dyall-ae2z.1.element.json", diff --git a/basis_set_exchange/data/dyall-ae3z.1.table.json b/basis_set_exchange/data/dyall-ae3z.1.table.json index 7e5f587e..77256696 100644 --- a/basis_set_exchange/data/dyall-ae3z.1.table.json +++ b/basis_set_exchange/data/dyall-ae3z.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from https://zenodo.org/records/7574629", - "revision_date": "2024-11-16", + "revision_date": "2024-11-17", "elements": { "1": "dyall/dyall-ae3z.1.element.json", "2": "dyall/dyall-ae3z.1.element.json", diff --git a/basis_set_exchange/data/dyall-ae4z.1.table.json b/basis_set_exchange/data/dyall-ae4z.1.table.json index 2ec1ebae..9003e9c5 100644 --- a/basis_set_exchange/data/dyall-ae4z.1.table.json +++ b/basis_set_exchange/data/dyall-ae4z.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from https://zenodo.org/records/7574629", - "revision_date": "2024-11-16", + "revision_date": "2024-11-17", "elements": { "1": "dyall/dyall-ae4z.1.element.json", "2": "dyall/dyall-ae4z.1.element.json", diff --git a/basis_set_exchange/data/dyall-av2z.1.table.json b/basis_set_exchange/data/dyall-av2z.1.table.json index bbaba8eb..a49db428 100644 --- a/basis_set_exchange/data/dyall-av2z.1.table.json +++ b/basis_set_exchange/data/dyall-av2z.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from https://zenodo.org/records/7574629", - "revision_date": "2024-11-16", + "revision_date": "2024-11-17", "elements": { "1": "dyall/dyall-av2z.1.element.json", "2": "dyall/dyall-av2z.1.element.json", diff --git a/basis_set_exchange/data/dyall-av3z.1.table.json b/basis_set_exchange/data/dyall-av3z.1.table.json index 382be38d..8a9470f2 100644 --- a/basis_set_exchange/data/dyall-av3z.1.table.json +++ b/basis_set_exchange/data/dyall-av3z.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from https://zenodo.org/records/7574629", - "revision_date": "2024-11-16", + "revision_date": "2024-11-17", "elements": { "1": "dyall/dyall-av3z.1.element.json", "2": "dyall/dyall-av3z.1.element.json", diff --git a/basis_set_exchange/data/dyall-av4z.1.table.json b/basis_set_exchange/data/dyall-av4z.1.table.json index 2bda5e18..4367aa2f 100644 --- a/basis_set_exchange/data/dyall-av4z.1.table.json +++ b/basis_set_exchange/data/dyall-av4z.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from https://zenodo.org/records/7574629", - "revision_date": "2024-11-16", + "revision_date": "2024-11-17", "elements": { "1": "dyall/dyall-av4z.1.element.json", "2": "dyall/dyall-av4z.1.element.json", diff --git a/basis_set_exchange/data/dyall-cv2z.1.table.json b/basis_set_exchange/data/dyall-cv2z.1.table.json index 20485cd4..2edad350 100644 --- a/basis_set_exchange/data/dyall-cv2z.1.table.json +++ b/basis_set_exchange/data/dyall-cv2z.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from https://zenodo.org/records/7574629", - "revision_date": "2024-11-16", + "revision_date": "2024-11-17", "elements": { "1": "dyall/dyall-cv2z.1.element.json", "2": "dyall/dyall-cv2z.1.element.json", diff --git a/basis_set_exchange/data/dyall-cv3z.1.table.json b/basis_set_exchange/data/dyall-cv3z.1.table.json index 55e69f61..d610c7be 100644 --- a/basis_set_exchange/data/dyall-cv3z.1.table.json +++ b/basis_set_exchange/data/dyall-cv3z.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from https://zenodo.org/records/7574629", - "revision_date": "2024-11-16", + "revision_date": "2024-11-17", "elements": { "1": "dyall/dyall-cv3z.1.element.json", "2": "dyall/dyall-cv3z.1.element.json", diff --git a/basis_set_exchange/data/dyall-cv4z.1.table.json b/basis_set_exchange/data/dyall-cv4z.1.table.json index 3038c4d2..c82ec27e 100644 --- a/basis_set_exchange/data/dyall-cv4z.1.table.json +++ b/basis_set_exchange/data/dyall-cv4z.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from https://zenodo.org/records/7574629", - "revision_date": "2024-11-16", + "revision_date": "2024-11-17", "elements": { "1": "dyall/dyall-cv4z.1.element.json", "2": "dyall/dyall-cv4z.1.element.json", diff --git a/basis_set_exchange/data/dyall-v2z.1.table.json b/basis_set_exchange/data/dyall-v2z.1.table.json index 6b833b6b..56b3246c 100644 --- a/basis_set_exchange/data/dyall-v2z.1.table.json +++ b/basis_set_exchange/data/dyall-v2z.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from https://zenodo.org/records/7574629", - "revision_date": "2024-11-16", + "revision_date": "2024-11-17", "elements": { "1": "dyall/dyall-v2z.1.element.json", "2": "dyall/dyall-v2z.1.element.json", diff --git a/basis_set_exchange/data/dyall-v3z.1.table.json b/basis_set_exchange/data/dyall-v3z.1.table.json index 26be6ba7..254d81ff 100644 --- a/basis_set_exchange/data/dyall-v3z.1.table.json +++ b/basis_set_exchange/data/dyall-v3z.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from https://zenodo.org/records/7574629", - "revision_date": "2024-11-16", + "revision_date": "2024-11-17", "elements": { "1": "dyall/dyall-v3z.1.element.json", "2": "dyall/dyall-v3z.1.element.json", diff --git a/basis_set_exchange/data/dyall-v4z.1.table.json b/basis_set_exchange/data/dyall-v4z.1.table.json index 69d2dd0d..07fb8a9e 100644 --- a/basis_set_exchange/data/dyall-v4z.1.table.json +++ b/basis_set_exchange/data/dyall-v4z.1.table.json @@ -4,7 +4,7 @@ "schema_version": "0.1" }, "revision_description": "Data from https://zenodo.org/records/7574629", - "revision_date": "2024-11-16", + "revision_date": "2024-11-17", "elements": { "1": "dyall/dyall-v4z.1.element.json", "2": "dyall/dyall-v4z.1.element.json", diff --git a/basis_set_exchange/data/dyall/dyall-aae2z.1.json b/basis_set_exchange/data/dyall/dyall-aae2z.1.json index 054c064d..819d2b4c 100644 --- a/basis_set_exchange/data/dyall/dyall-aae2z.1.json +++ b/basis_set_exchange/data/dyall/dyall-aae2z.1.json @@ -8,7 +8,10 @@ "elements": { "1": { "references": [ - "dyall2012a,dyall2012b,dyall2023a" + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" ], "electron_shells": [ { @@ -150,7 +153,10 @@ }, "2": { "references": [ - 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