feat: add jdftx (#171)

ltalirz · Mar 6, 2024 · 936a552 · 936a552
1 parent 0e20cf8
commit 936a552
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Showing 2 changed files with 58 additions and 24 deletions.
diff --git a/src/data/citations.json b/src/data/citations.json
@@ -393,9 +393,9 @@
         "citations": 1,
         "datestamp": "2021-04-10"
       },
-      "jDFTx / DFT++": {
+      "jDFTX": {
         "citations": 0,
-        "datestamp": "2021-04-10"
+        "datestamp": "2024-03-06"
       },
       "xTB": {
         "citations": 1,
@@ -811,9 +811,9 @@
         "citations": 0,
         "datestamp": "2021-01-17"
       },
-      "jDFTx / DFT++": {
+      "jDFTX": {
         "citations": 0,
-        "datestamp": "2021-01-17"
+        "datestamp": "2024-03-06"
       },
       "xTB": {
         "citations": 1,
@@ -1229,9 +1229,9 @@
         "citations": 1,
         "datestamp": "2021-01-17"
       },
-      "jDFTx / DFT++": {
+      "jDFTX": {
         "citations": 6,
-        "datestamp": "2021-01-17"
+        "datestamp": "2024-03-06"
       },
       "xTB": {
         "citations": 1,
@@ -1647,9 +1647,9 @@
         "citations": 4,
         "datestamp": "2021-01-17"
       },
-      "jDFTx / DFT++": {
+      "jDFTX": {
         "citations": 7,
-        "datestamp": "2021-01-17"
+        "datestamp": "2024-03-06"
       },
       "xTB": {
         "citations": 2,
@@ -2065,9 +2065,9 @@
         "citations": 8,
         "datestamp": "2021-01-17"
       },
-      "jDFTx / DFT++": {
+      "jDFTX": {
         "citations": 13,
-        "datestamp": "2021-01-17"
+        "datestamp": "2024-03-06"
       },
       "xTB": {
         "citations": 1,
@@ -2483,9 +2483,9 @@
         "citations": 10,
         "datestamp": "2021-01-07"
       },
-      "jDFTx / DFT++": {
+      "jDFTX": {
         "citations": 14,
-        "datestamp": "2021-01-07"
+        "datestamp": "2024-03-06"
       },
       "xTB": {
         "citations": 4,
@@ -2901,9 +2901,9 @@
         "citations": 10,
         "datestamp": "2021-01-07"
       },
-      "jDFTx / DFT++": {
-        "citations": 14,
-        "datestamp": "2021-01-07"
+      "jDFTX": {
+        "citations": 17,
+        "datestamp": "2024-03-06"
       },
       "xTB": {
         "citations": 6,
@@ -3319,9 +3319,9 @@
         "citations": 13,
         "datestamp": "2021-01-07"
       },
-      "jDFTx / DFT++": {
-        "citations": 29,
-        "datestamp": "2021-01-07"
+      "jDFTX": {
+        "citations": 30,
+        "datestamp": "2024-03-06"
       },
       "xTB": {
         "citations": 21,
@@ -3737,9 +3737,9 @@
         "citations": 12,
         "datestamp": "2021-01-04"
       },
-      "jDFTx / DFT++": {
-        "citations": 28,
-        "datestamp": "2021-01-04"
+      "jDFTX": {
+        "citations": 25,
+        "datestamp": "2024-03-06"
       },
       "xTB": {
         "citations": 52,
@@ -4155,9 +4155,9 @@
         "citations": 13,
         "datestamp": "2021-01-04"
       },
-      "jDFTx / DFT++": {
+      "jDFTX": {
         "citations": 24,
-        "datestamp": "2021-01-04"
+        "datestamp": "2024-03-06"
       },
       "xTB": {
         "citations": 126,
@@ -4453,6 +4453,10 @@
         "citations": 52,
         "datestamp": "2021-08-26"
       },
+      "jDFTX": {
+        "citations": 48,
+        "datestamp": "2024-03-06"
+      },
       "xTB": {
         "citations": 267,
         "datestamp": "2021-08-24"
@@ -4735,6 +4739,10 @@
         "citations": 80,
         "datestamp": "2024-03-06"
       },
+      "jDFTX": {
+        "citations": 61,
+        "datestamp": "2024-03-06"
+      },
       "xTB": {
         "citations": 470,
         "datestamp": "2023-01-30"
@@ -5017,6 +5025,10 @@
         "citations": 74,
         "datestamp": "2024-03-06"
       },
+      "jDFTX": {
+        "citations": 75,
+        "datestamp": "2024-03-06"
+      },
       "xTB": {
         "citations": 727,
         "datestamp": "2023-01-28"
@@ -5025,4 +5037,4 @@
     "year_high": 2022,
     "year_low": 2022
   }
-}
+}
diff --git a/src/data/codes.json b/src/data/codes.json
@@ -809,6 +809,28 @@
     "tags": ["AE", "GTO", "PP", "STO"],
     "types": ["DFT", "WFM"]
   },
+  "JDFTx": {
+    "acceleration": ["MPI", "Cuda"],
+    "apis": [],
+    "author_name": "Sundararaman",
+    "benchmarks": [],
+    "distribution_channels": [
+      "Source"
+    ],
+    "element_coverage": "H..Pu",
+    "homepage": "https://jdftx.org/",
+    "cost": "free",
+    "source": "copyleft",
+    "license": "GPL-3.0",
+    "name": "JDFTx",
+    "nomad_tags": [],
+    "notes": null,
+    "query_method": "search term",
+    "query_publication_id": null,
+    "query_string": "\"JDFTx\" Sundararaman",
+    "tags": ["PBC", "PP", "PW", "AE"],
+    "types": ["DFT"]
+  },
   "LAMMPS": {
     "acceleration": ["MPI", "OpenMP", "Cuda", "HIP"],
     "apis": [],