Develop (usnistgov#193)

* Image augmentation. * Augment images. * Augment images. * Specie update. * Add Latt2D, STM image (b-1) fix, image augmentation fix. * Add Latt2D, STM image (b-1) fix, image augmentation fix. * Update conf.py * Update conf.py * Multi-output graph bacthing. * Add EDOS dataset. * Temp. * Add circuit maker. * Add circuit maker. * NELECT update. * Version update, more DBs added. * Fix CHGCAR vasp. * Added volumetric reshape for CHGCAR. * Tmp * Tershoff Hamman update, specie update. * Add crop from center in STM. * Add Fourier transfor in STM. * Update STM pytest. * Add DPI to STM. * Zeo++ added, Atoms cif update, STM update, random vacancy maker added. * Atoms tempfile fix, Potcar from atoms module added. * Test for docs. * C2DB link update, docs Atoms update. * C2DB link update, docs Atoms update. * Version update, COD DB, QM9 JCTC DB added. * Compostion bug fix, elemental descriptor added. * Develop (usnistgov#186) * Update outputs.py I added the calculation of the Raman intensities inside parse_raman_dat * Update outputs.py * Update outputs.py * Update outputs.py * Update cfid.py * Delete __init__.py * stylecss added. * stylecss added. * Adding extra Makefile/ * Remove examples from docs. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Docs update. * Tutorials update. * Tutorials docs update. * Docs update,pdb reader updated. * Update action_build.yml * Update action_build.yml * Remove pytraj strong dependencies. * Update docs, Added PDBBind and HPOV datasets. * Docs update. * Add thcikness to surface builder. * Surface builder update, Chemical only magpie descriptors added, pdb_core dataset added, zeopp tempfile bugfix. * Typo fix. * Add names to chem descs. * Lessen hermsolver pytest. * Reduced pytest. * Reduced pytest. * Reduced pytest. * Reduced pytest. * Reduced pytest. * No DFT3D * Exclude dft_3d dataset for memory issue. * Update figshare test. * Update figshare test. * Exclude db from coverage. * Exclude db from coverage. * Add magpie.json. * Add magpie.json. Co-authored-by: tavazza <tavazza@gmail.com> Co-authored-by: knc6 <kamal.choudhary@nist.gov>
RamyaGuru · Jul 19, 2021 · ab0c5bd · ab0c5bd
1 parent 49fb81b
commit ab0c5bd
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diff --git a/docs/source/databases.rst b/docs/source/databases.rst
@@ -13,9 +13,10 @@ Database name            Number of data-points       Description
 ``stm``                  1132                        2D materials STM images in JARVIS-STM database  
 ``wtbh_electron``        1440                        3D and 2D materials Wannier tight-binding Hamiltonian
                                                      dtaabase for electrons with spin-orbit coupling
-                                                     in JARVIS-WTB
-``wtbh_phonon``          1440                        3D and 2D materials Wannier tight-binding Hamiltonian
-                                                     for phonons at Gamma with finite difference
+                                                     in JARVIS-WTB (Keyword: 'WANN')
+``wtbh_phonon``          15502                       3D and 2D materials Wannier tight-binding Hamiltonian
+                                                     for phonons at Gamma with finite difference 
+                                                     (Keyword:FD-ELAST)
 ``jff``                  2538                        Various 3D materials properties in JARVIS-FF database   
                                                      computed with several force-fields                     
 ``edos_pdos``            48469                       Normalized electron and phonon density of states with 

diff --git a/jarvis/__init__.py b/jarvis/__init__.py
@@ -1,2 +1,2 @@
 """Version number."""
-__version__ = "2021.07.18"
+__version__ = "2021.07.19"
diff --git a/setup.py b/setup.py
@@ -11,7 +11,7 @@
 
 setup(
     name="jarvis-tools",
-    version="2021.07.18",
+    version="2021.07.19",
     long_description=long_d,
     install_requires=[
         "numpy>=1.19.5",
@@ -27,6 +27,7 @@
     package_data={
         "jarvis.core": [
             "Elements.json",
+            "magpie.json",
             "element_charge.json",
             "atom_init.json",
         ],