Merge branch 'Dev.Public'

# Conflicts:
#	example_NiO_OpenMX.sh
#	examples/NiO_G-AFM.OpenMx/nio_J_openmx.toml
#	examples/NiO_G-AFM.OpenMx/nio_J_wannier.toml
#	examples/NiO_G-AFM.OpenMx/nio_dft_result.tar.xz
#	install.jl
#	install.sh

LICENSE

@@ -1,3 +1,7 @@
+The DFTforge.jl package is licensed under the LGPL License:
+Copyright (c) 2019: Hongkee Yoon hongkeeyoon@kaist.ac.kr.
+
+
                    GNU LESSER GENERAL PUBLIC LICENSE
                        Version 3, 29 June 2007
 

Project.toml

@@ -1,7 +1,9 @@
 name = "DFTforge"
 uuid = "bdfbc6b8-a7f8-11e8-26c1-51ecc9f04035"
 authors = ["Hongkee Yoon <bluehope@gmail.com>"]
-version = "0.9.3"
+version = "1.0.1"
+
+
 
 [deps]
 ArgParse = "c7e460c6-2fb9-53a9-8c5b-16f535851c63"
@@ -20,3 +22,17 @@ Plots = "91a5bcdd-55d7-5caf-9e0b-520d859cae80"
 ProgressMeter = "92933f4c-e287-5a05-a399-4b506db050ca"
 Rotations = "6038ab10-8711-5258-84ad-4b1120ba62dc"
 Statistics = "10745b16-79ce-11e8-11f9-7d13ad32a3b2"
+
+[compat]
+julia = "^1.0"
+ArgParse = "^0.6.2"
+CSV = "0.5.0, 1.0"
+DataFrames = "0.19.4, 1.0"
+DataStructures = "0.17.5, 1.0"
+FileIO  = "^1.0.7"
+Glob = "^1.2.0"
+HDF5 = "^0.12.0"
+JLD2 = "^0.1.3"
+Plots = "^0.27.0"
+ProgressMeter = "^1.1.0"
+Rotations = "0.12.0, 1.0"

Readme.md

@@ -1,32 +1,28 @@
 - Hongkee Yoon Hongkeeyoon@kaist.ac.kr
-- 2019.05 works with Julia 1.0 & 1.1
+- 2019.11 works with Julia 1.0 & 1.1 & 1.2
 - https://kaist-elst.github.io/DFTforge.jl/
 
-# Quick start
-## How to install
-- ./install.sh
-## How to run example
-- ./example_NiO_OpenMX.sh
+![Julia1.0](https://img.shields.io/badge/Julia-1.0-blue.svg?longCache=true)  ![Julia1.1](https://img.shields.io/badge/Julia-1.1-blue.svg?longCache=true)  ![Julia1.2](https://img.shields.io/badge/Julia-1.2-blue.svg?longCache=true)
 
+The backend package for MFT code [Jx](https://kaist-elst.github.io/Jx.jl/).
 
-![Julia1.0](https://img.shields.io/badge/Julia-1.0-blue.svg?longCache=true)  ![Julia1.0](https://img.shields.io/badge/Julia-0.7-blue.svg?longCache=true)
-
-[Homepage & How to use](https://kaist-elst.github.io/DFTforge.jl/)
+# DFTforge: the DFT postprocessing environment
+Simplify obtaining Hamiltonian, Eigenvalue, Eigenvector from DFT results, and Pre-caching them for parallelized calculations.
+Pre-cached results are easy to use when calculating in k and q space.
 
 
-# MFT (Magentic force theory)
+## DFTforge
+The wrapper for calculating Hamiltonian, Eigenvalue, Eigenvector from DFT results.
 
-![Jx](docs/Logo_text.svg){: height="100px" }
+ * read DFT results from OpenMX, Wannier90
+ * Calculate Phi, Enk, Hks,
 
+### Etc. functionalities
+ * K-point representation in INT (for unique K,Q).
+ * Gennerate K-points.
+ * Generalised argument parser (support TOML sytle input).
 
 
-**JX** Calculate spin exchange coupling parameters *J* from [OpenMX](http://www.openmx-square.org/) DFT/Wannier, [Wannier90](http://www.wannier.org/) hamiltonians via linear-response theory.
 
-We support the following features:
-- J in momentum space.
-- Orbital resolved *J*
-- Local axis redefinition for orbital resolved *J*
-- Full [OpenMX](http://www.openmx-square.org/) DFT Hamiltonian and Wannier Hamiltonian ([OpenMX](http://www.openmx-square.org/)/[Wannier90](http://www.wannier.org/))
+[Homepage & How to use](https://kaist-elst.github.io/DFTforge.jl/)
 
-![Logo](docs/Logo.svg)
----