From d26e8583a48a4bfd184974ed7377c0901cdb1c90 Mon Sep 17 00:00:00 2001 From: ricardoribeiro-2020 Date: Tue, 19 Jul 2022 13:12:56 +0100 Subject: [PATCH] documentation version 0.3.1 --- README.md | 2 +- docs/RELEASENOTES | 9 ++++++++- docs/TODO | 2 +- docs/documentation.pdf | Bin 406153 -> 406636 bytes docs/documentation.tex | 7 +++++-- 5 files changed, 15 insertions(+), 5 deletions(-) diff --git a/README.md b/README.md index 4e4f6f9..cbd44a5 100644 --- a/README.md +++ b/README.md @@ -9,7 +9,7 @@ Then the Berry connections can be used to calculate the first order optical cond Therefore, this suite of programs can be used in other calculations other than Berry connections and related topics, with small adaptations. -In this version 0.3 small improvements have been done relative to previous versions. +In this version 0.3.1 an important bug has been solved and parallelization has been added to some of the scripts. It still can only be used with 2D materials and with DFT suite Quantum Espresso. diff --git a/docs/RELEASENOTES b/docs/RELEASENOTES index 8219e97..a95f055 100644 --- a/docs/RELEASENOTES +++ b/docs/RELEASENOTES @@ -1,4 +1,11 @@ -RELEASE NOTES for berry v.0.3 +RELEASE NOTES for berry v.0.3.1 + +New in 0.3.1 version: + +- Serious bug corrected in the script preprocessing.py + +- Parallelization added to scripts preprocessing.py and dotproduct.py + New in 0.3 version: diff --git a/docs/TODO b/docs/TODO index 0667a71..c319958 100644 --- a/docs/TODO +++ b/docs/TODO @@ -2,7 +2,7 @@ This is a list of things to add or improve in the suite berry. No special order. 1. Add suport for noncolinear calculations -2. Implement paralelization in python code +2. Implement paralelization in more python code 3. Implement verification of initial conditions in each run 4. Create a Makefile and improve instalation and configuration 5. 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