MineralsCloud/.github MineralsCloud/.github

  • Stars
    star
    1
  • Language Smarty
  • License
    MIT License
  • Created over 2 years ago
  • Updated almost 2 years ago
Twitter logo Share LinkedIn logo Share Facebook logo Share
MineralsCloud/.github
github

MineralsCloud

Reviews

There are no reviews yet. Be the first to send feedback to the community and the maintainers!

Repository Details

More Repositories

1

qha

A Python package for calculating thermodynamic properties under quasi-harmonic approximation, using data from ab-initio calculations
Python
28
star
2

Express.jl

Express: a high-level, extensible workflow framework for accelerating ab initio calculations for the materials science community
Julia
25
star
3

cij

Semiemperical quasiharmonic thermal elasticity
Python
15
star
4

QuantumESPRESSOBase.jl

Provides basic data structures and helpful functions for manipulating structures, generating input files, pre-running error checks, etc.
Julia
14
star
5

EquationsOfStateOfSolids.jl

A Julia package for fitting the equation of state of solids, and more
Julia
13
star
6

phq

phq: a Fortran code to compute phonon quasiparticle properties and dispersions
Fortran
13
star
7

qe-demystify

Demystify the undocumented Quantum ESPRESSO input/output
12
star
8

pgm

Calculate thermodynamic properties of matter using phonon gas model (PGM)
Python
12
star
9

elastic-stability-conditions

A Python package that can verify the necessary and sufficient elastic stability conditions in various crystal systems
Python
8
star
10

phdg

Thermo phase diagrams with ease.
Python
6
star
11

EasyJobs.jl

Create any job from Julia functions
Julia
6
star
12

SimpleWorkflows.jl

A simple workflow engine powered by Julia
Julia
6
star
13

EPAW

A code for evolutionary optimization of PAW datasets especially for high-pressure applications
Fortran
5
star
14

CrystallographyBase.jl

This package contains some basic functionalities of Crystallography.jl
Julia
4
star
15

MillerIndices.jl

A notation system in crystallography for lattice planes in crystal (Bravais) lattices
Julia
4
star
16

Crystallography.jl

Provides some crystallography operations
Julia
3
star
17

WorkshopFall2022

This repository contains the setup files/resources for the workshop held by our group in Columbia Global Center, Nairobi, and Technical University of Kenya in 2022.
Python
3
star
18

QuantumESPRESSOCommands.jl

A Julia wrapper of Quantum ESPRESSO commands with configurations
Julia
3
star
19

LinearElasticity.jl

Calculate linear elasticity for some crystals
Julia
2
star
20

AbInitioSoftwareBase.jl

Provides a common API that shared by some ab initio software
Julia
2
star
21

Pseudopotentials.jl

A Julia package that provides operations of a database with pseudopotential datasets
Julia
1
star
22

PyQHA.jl

A Julia-Python interface of https://github.com/MineralsCloud/qha
Julia
1
star
23

EquationOfStateRecipes.jl

Plotting recipes for equations of state
Julia
1
star
24

EquationsOfState.jl

A Julia package for fitting the equations of state
Starlark
1
star
25

UnifiedPseudopotentialFormat.jl

Julia
1
star
26

jlguide

1
star
27

ExpressBase.jl

This package defines some basic types and functions used by the Express.jl package.
Julia
1
star
28

ExpressCommands.jl

The command-line interface of Express.jl
Julia
1
star
29

QuantumESPRESSO.jl

This package could handle the interaction with Quantum ESPRESSO software
Julia
1
star
30

QuantumESPRESSOParser.jl

Parses the input/output files of Quantum ESPRESSO to extract data
Julia
1
star
31

QuantumESPRESSOFormatter.jl

Format Quantum ESPRESSO input files
Julia
1
star
32

CrystallographyCore.jl

This package contains some core functionalities of Crystallography.jl
Julia
1
star
33

geothermpy

A Python package that can calculate the isentropic geotherm from thermodynamic properties
Python
1
star