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anisotropic crystal & fixed volume energies with castep

Status: Open.

#90 In MineralsCloud/qha;

· stanroozen opened on Jul 1, 2022

Split numbers when reading QE's matdyn output

Status: Open.

#86 In MineralsCloud/qha;

· singularitti opened on Mar 24, 2021

Population of each configuration in multi-configuration calculation

API

enhancementNew feature or requestNew feature or request

Status: Open.

#76 In MineralsCloud/qha;

· chazeon opened on Jun 18, 2019

mpmath.workprec and bigfloat.precision

docsSomething todo with documentsSomething todo with documents

Status: Open.

#73 In MineralsCloud/qha;

· singularitti opened on Jun 13, 2019

Adaptive volume_ratio setting

enhancementNew feature or requestNew feature or request

Status: Open.

#60 In MineralsCloud/qha;

· singularitti opened on Sep 7, 2018

Should we make a docker image of qha?

dockerdocker image maintainmentdocker image maintainment

Status: Open.

#54 In MineralsCloud/qha;

· singularitti opened on Jul 22, 2018

Seperate plotter and converter

Status: Open.

#52 In MineralsCloud/qha;

· chazeon opened on Jul 21, 2018