From 293aae3411c73cafdabbd71f16d79789eec83c50 Mon Sep 17 00:00:00 2001 From: Chenxing Luo Date: Wed, 2 Jun 2021 21:51:51 -0400 Subject: [PATCH 1/2] Update README.md --- README.md | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index bb9defa..54249ab 100644 --- a/README.md +++ b/README.md @@ -69,7 +69,8 @@ elast: mode_gamma: interpolator: spline order: 3 - system: cubic + symmetry: + system: cubic output: pressure_base: - cij From e9541b28fdc6cfb4faa4493e654f940201ed4085 Mon Sep 17 00:00:00 2001 From: Chenxing Luo Date: Thu, 17 Jun 2021 23:52:19 -0400 Subject: [PATCH 2/2] Update README.md --- README.md | 8 ++++++++ 1 file changed, 8 insertions(+) diff --git a/README.md b/README.md index 54249ab..60ec205 100644 --- a/README.md +++ b/README.md @@ -155,6 +155,14 @@ See [GitHub pages][2]. [![codecov](https://codecov.io/gh/MineralsCloud/cij/branch/dev/graph/badge.svg?token=Ln1Fo4vNBE)](https://codecov.io/gh/MineralsCloud/cij) [![pypi](https://img.shields.io/pypi/v/cij.svg)](https://pypi.org/project/cij/) +## How to cite + +If you use this software in any publication, please cite: + +Luo, C., Deng, X., Wang, W., Shukla, G., Wu, Z., & Wentzcovitch, R. M. (2021). cij: A Python code for quasiharmonic thermoelasticity. *Computer Physics Communications*, 108067. https://doi.org/10.1016/j.cpc.2021.108067 + +The paper is also available from arXiv: https://arxiv.org/abs/2101.12596 + ## Licence Released under [GNU GPLv3](./LICENCE) license.