Update requirements.

usnistgov · Aug 18, 2023 · e3c2c85 · e3c2c85
1 parent 5da17b6
commit e3c2c85
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Showing 3 changed files with 15 additions and 5 deletions.
diff --git a/dev-requirements.txt b/dev-requirements.txt
@@ -10,7 +10,8 @@ autograd==1.3
 Babel==2.9.1
 bokeh==2.4.2
 cachetools==4.2.4
-certifi==2021.10.8
+certifi==2023.7.22
+#certifi==2021.10.8
 cffi==1.15.0
 charset-normalizer==2.0.9
 cif2cell==2.0.0a3
@@ -139,7 +140,8 @@ toml==0.10.2
 tomli==2.0.0
 toolz==0.11.2
 torch==1.10.1
-tornado==6.1
+tornado==6.3.3
+#tornado==6.1
 tqdm==4.62.3
 tweedledum==1.1.1
 typing_extensions==4.0.1

diff --git a/docs/requirements.txt b/docs/requirements.txt
@@ -11,7 +11,8 @@ autograd==1.3
 Babel==2.9.1
 bokeh==2.4.2
 cachetools==4.2.4
-certifi==2021.10.8
+certifi==2023.7.22
+#certifi==2021.10.8
 cffi==1.15.0
 charset-normalizer==2.0.9
 cif2cell==2.0.0a3
@@ -84,7 +85,8 @@ pyasn1-modules==0.2.8
 pybind11==2.8.1
 PyCifRW==4.4
 pycparser==2.21
-Pygments==2.10.0
+Pygments==2.14
+#Pygments==2.10.0
 pyparsing==3.0.6
 pyrsistent==0.18.0
 pytest==6.2.5
@@ -141,7 +143,8 @@ toml==0.10.2
 tomli==2.0.0
 toolz==0.11.2
 torch==1.10.1
-tornado==6.1
+tornado==6.3.3
+#tornado==6.1
 tqdm==4.62.3
 tweedledum==1.1.1
 typing_extensions==4.0.1

diff --git a/jarvis/core/atoms.py b/jarvis/core/atoms.py
@@ -1340,6 +1340,11 @@ def get_string(self, cart=True, sort_order="X"):
           sort_order: sort by chemical properties of
                     elements. Default electronegativity.
         """
+        from jarvis.io.vasp.inputs import Poscar
+
+        return Poscar(self).to_string()
+        ### Might be a bug while sorting
+
         system = str(self.composition.formula)
         header = (
             str(system)