alchem0x2a Goto Github PK

packmol-feedstock

A conda-smithy repository for packmol.

paper.2d_dielectric

Paper for 2D dielectric

paper.gr_nanopore

Calculate the flux in graphene nanopore via comsol

paper.graphene-electrowetting

Paperwork for the publication of graphene electrowetting (Langmuir, 2017, 33 (44), pp 12827–12837)

paper.ifet

Paper for F16uPc/graphene interaface doi:10.1002/smll.201804006

paper.mogs_qc

Publication for the field transparency of graphene quantum capacitors (Nano Lett., 2016, 16 (8), pp 5044–5052)

paper.mx2_exciton

Layer-dependent exciton energy for MX2 (Chem. Mater. 2019, 31, 24, 10049-10062)

paper.rev-epitaxy-2d

Review paper for Ind. Eng. Chem. Res. for epitaxy on 2D materials. (Ind. Eng. Chem. Res., 2017, 56 (38), pp 10552–10581)

paper.znvo

DFT calculations on ZnVO (J. Mater. Chem. A, 2019, 7, 16109-16116)

pubfigure

To create nice publication-ready figure with arranged subfigures and labels

py-fbink

Python cFFI bindings for FBInk

py-vasp-tool

Some tools written in python for personal use of vasp

py-wdf-reader

Python package for read-only accessing the wdf Raman spectroscopy from Ranishaw WiRE software

pycse

Python computations in science and engineering

pymatgen

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.

rclone_python

rclone python wrapper

rd-blender-docker

A collection of Docker containers for running Blender headless or distributed ✨

sgi

Simpe Goniometer Interface powered by Python + Qt5

spack

A flexible package manager that supports multiple versions, configurations, platforms, and compilers.

sparc

Simulation Package for Ab-initio Real-space Calculations

sparc-x-api

sparc-x-api-feedstock

A conda-smithy repository for sparc-x-api.

sparc-x-feedstock

A conda-smithy repository for sparc-x.

staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

texlive-docker-minimal

:whale: :book: Minimal TeX Live installation Docker image

tian_mogs_qc_si

Supporting Information for repository TIAN_MOGS_QC

travis-latexbuild

Building LaTeX packages using Travis-CI

uoa_che358_mock

Mock lecture for che358

vasp

New ASE compliant Python interface to VASP

vasp-interactive