:D 获取中...

1 Opensource or freemium softwares

1.1 Word processing and Presentation

To replace commercial MS Office (Win/Mac)

1.1.1 Office

  • WPS office(Win/Linux, Freemium & Proprietary, best compatibility to MS Office)
  • LibreOffice (Win/Mac/Linux, Portable, Opensource)
  • OnlyOffice (Win/Mac/Linux, Opensource, very good compatibility to MS Office)

1.1.2 Tex

  • TeX Live (Win/Mac/Linux, Portable, Opensource)

  • Miktex(Win/Mac/Linux, Portable, Opensource)

1.1.3 Markdown+Pandoc+Katex

  • Typora (Win/Mac/Linux, Portable, Paid & Proprietary, Markdown viewer)

  • Pandoc (Win/Mac/Linux, Portable, Opensource, Markdown converter)

  • Katex(Win/Mac/Linux, Portable, Opensource, Tex Math render)/MathJax(Win/Mac/Linux, Portable, Opensource) (Win/Mac/Linux, Portable, Tex Math render)

1.2 Pdf Reader and Processing

To replace commercial Acrobat Pdf (Win)

  • Sumatra pdf (Win, Portable, Opensource, eps/pdf/png/jpg Reader and Pdf editr)
  • PDF-XChange Viewer (Win, Freemium & Proprietary, Pdf editr)
  • qpdf(Win/Linux, Portable, Opensource, Pdf converter)

1.3 Text and Code Processing

To replace commercial Emeditor or Editorplus for *.txt/*.dat/*.md/*.tex (Win)

1.4 Reference Processing

To replace commercial Endnote or Noteexpress (Win)

  • Zotero(Win/Mac/Linux, Opensource)
  • Mendeley(Win/Mac/Linux, Opensource)
  • Jabref (Win/Mac/Linux, Portable, Opensource)

1.5 Data Plotting && Image Processing

To replace commercial Origin 8 (Win)

  • Veusz (Win/Mac/Linux, Opensource)
  • SciDavis(Win/Mac/Linux, Opensource)
  • Gnuplot (Win/Mac/Linux, Portable, Opensource)

To replace commercial Adobe Illustrator (Win)

  • Inkscape (Win/Mac/Linux, Portable, Opensource)
  • ImageMagic (Win/Mac/Linux, Portable, Opensource, Image converter)

To replace commercial PhotoShop (Win/Mac)

  • GIMP (Win/Mac/Linux, Opensource)

1.6 SSH

To replace commercial Xmananger (Win, Free personal for Xshell+Xftp)

  • Putty+WinSCP+Xming(Win, Portable, Opensource)
  • MobaXerm (Win, Portable, Freemium & Proprietary, including SSH+SFTP+X11+Cygwin)
  • WindTerm (Win/Mac/Linux, Portable, Freemium & Partial Open Source, including SSH+SFTP+X11)

1.7 RSS

  • FeedBro(Web, Freemium) Chrome/MSEdge Extension

  • Tiny-Tiny RSS (Website hosted, Opensource)

  • OR StockApp to track Reference (Web, Freemium & Proprietary)

1.8 Programming/Scripting Language

  • AutoHotkey (Win, Portable, Opensource, keyboard macro program)
  • Gawk for Windows (Win, Portable, Opensource, data text processing)
  • BusyBox (Win/Mac/Linux, Portable, Free & Opensource, toolbox)
  • Python (Win/Mac/Linux, Opensource)

1.9 Cleaner

  • Bleachbit(Win/Mac/Linux, Portable, Opensource)
  • CCleaner(Win/Mac, Freemium & Proprietary)
  • Dism++(Win, Freemium & Proprietary)

1.10 Other Tools

  • 7-zip(Win, p7zip for Mac/Linux, Portable, Opensource)
  • FreeFileSync (Win/Mac/Linux, Opensource, data backup software)
  • FRP (Win/Mac/Linux, Portable, Opensource, fast reverse proxy)
  • Syncthing (Win/Mac/Linux, Portable, Opensource, continuous file synchronization program, better than next cloud)
  • MPC-HC(Win, Portable, Opensource, Media player)
  • Blender(Win/Mac/Linux, Portable, Opensource, 3D Creation Software
  • Anki(Win/Mac/Linux, Portable, Opensource, program making remembering things easy)
  • jsmind(Web, Opensource, Mindmap library for Markdown)
  • VLC(Win/Mac/Linux, Opensource, Media player)
  • SpeedCrunch Calculator(Win, Portable, Opensource)
  • UltraVNC(Win, Portable, Opensource, remote desktop for Linux) nginx
  • graphviz(Win/Mac/Linux, Opensource, graph visualization/OCR)

2 Codes for Science

2.1 DFT/MD code

To replace commercial VASP(Linux/Mac, Very good PAW potentials as highlight)

  • Quantum Espresso(Linux/Mac/Win, Opensource, EPC and superconductor calculations as highlight, a good GUI QuantumVITAS(Linux/Mac/Win, Opensource)
  • Abinit(Linux/Mac/Win, Opensource)

To replace commercial Materials Studio Visualizer(Win/Linux, Very friendly interface as highlight)

  • Avogadro 2(Linux/Mac/Win, Opensource, friendly interface for atom manipulation/make supercell/symmetry recognization)
  • Device Studio(Win, freemium Proprietary, Very Similar to Materials Studio Visualizer)

To replace commercial Gaussian(Win/Mac/Linux, especially for molecular calculations)+Gaussview (Win, Commercial)

  • NWChem(Linux/Mac, Opensource)

2.2 Geometry Viewer

  • Vesta (Win/Mac/Linux, Portable, Freemium & Proprietary, Including XRD simulation, especially for charge density)
  • XcrySDen(Win/Mac/Linux, Portable, Opensource, especially for visualizing vibrational modes from QE and fermi surface from wannier90)
  • V_sim (Win/Mac/Linux, Portable, Freemium & Proprietary, especially for vibrational modes from phonopy)
  • p4vasp(Win/Mac/Linux, Portable, Opensource, especially for visualize VASP output, Download)
  • wxDragon (Win/Mac/Linux, Portable, Freemium & Proprietary, especially for COOP/OCHP results from LOBSTER)
  • Jmol (Win/Mac/Linux, Portable, Opensource)
  • VMD(Win/Mac/Linux, Portable, Opensource, molecular visualization program for displaying, animating, and analyzing large biomolecular systems using 3-D graphics and built-in scripting,Download)

2.3 High Symmetry K Points

2.4 Other

  • g2g(Win): Chemical format coverter based on OpenBabel
  • Open Babel(Linux/Mac/Win, Opensource)
  • Lammps(Win/Mac/Linux, Opensource, especially for classical molecular dynamics)
  • siesta(Linux, Opensource, especially for NEGF transport using transiesta module)
  • cp2k(Linux, Opensource, especially for high-performance molecular dynamics)
  • Periodic Table (Win, Portable, Freemium & Proprietary, Download)
  • Dr Probe(Win/Linux, Freemium & Proprietary, HRTEM simulation)
  • Multiwfn(Win/Mac/Linux, Portable, Opensource, electronic wavefunction analysis)
  • (gdis.zip)http://gdis.seul.org/: Molecule/Crystal Editor

3 Soft Comparision

3.1 Web browser

Browser Chrome 360 Chrome CentBrowser Opera Maxthon CM browser QQ browser Firefox MS Edge
Engine Blink Blink+Trident Blink Blink WebKit+Trident Blink+Trident Blink+Trident ‎Quantum Blink
Bookmark Sync Extension Intrinsic Extension Intrinsic Intrinsic Intrinsic Intrinsic Intrinsic Intrinsic
Ad Block Extension Intrinsic Extension Intrinsic Intrinsic Intrinsic Intrinsic Extension Extension
Mouse Gesture Extension Intrinsic Intrinsic Intrinsic Intrinsic Intrinsic Intrinsic Extension Extension
Spell Check Intrinsic No Intrinsic Intrinsic Intrinsic Intrinsic Intrinsic Intrinsic Intrinsic
Portable PortableApps/DIY No Intrinsic PortableApps Intrinsic No No PortableApps/DIY No
Prospect Excellent Good Minority Excellent Minority Good Good Excellent Excellent
Extension Excellent Excellent Excellent Excellent Good Excellent Excellent Excellent Excellent
Speed Fast Fast Fast Fast A little slow Fast Fast Fast Fast
Safety Excellent Excellent Unknown Excellent Excellent Excellent Excellent Excellent Excellent
MathML Support No No No No No No No Yes No
Opensource No No No No No No No Yes No
Internal call IE No Yes No No Yes Yes Yes No Yes
App Mode Yes No Yes No No No No Extension Yes
Main Drawbacks High memory demand, inconvenient Bookmark Sync No Portable, No Spell Check Minority,Unknown safety, High memory demand High memory demand Slow load, small UI font size No portable No portable Minority compatibility problem sometimes

3.2 Firefox

3.2.1 Allow Redirect

  • about:config =>accessibility.blockautorefresh to false.

3.2.2 Change defaut profile

  • firefox.exe -p to open profile Manangers and delete all profiles (except D:\Qsync\dosbin\FireFox\FFprofile).
  • Creat new profile, and set profile path to D:\Qsync\dosbin\FireFox\FFprofile.
  • Set firefox to defaut browser.

3.2.2.1 firefox.exe not found in defaut browser options

  • firefox/Bin/uninstall/helper.exe /SetAsDefaultAppGlobal to set firefox visable in defaut browser options, then set firefox default. If it is still invisiable, run the command again.

3.3 Cleaner

Table. Usefule cleaners for PC
Task CCleaner Bleachbit Dism++
Free Free personal Free & Opensource Free personal, but not Opensource as stated
Clean Trash Yes Yes Yes
Clean Registry Easy Yes, but not complete Yes, but not friendly
Bundleware InstallAvast & collects information to send to Avast Good Protable, but safety Unknown

3.4 BURAI vs. QuantumVITAS

QE GUI BURAI QuantumVITAS
Input Geometry .cif/.xyz/.xsf/POSCAR/pwscf, but not OpenBabel cif format Only pwscf (+g2g)
output Geometry no (+obabel/g2g) no (+obabel/g2g)
Modeler Slab/Supercell/Translate No(+Vesta/Avogadro2/PyMatGen/vaspkit)
Optimization/MD Movie Frames (+Avogadro2)
Band Structure Bands, not convinent for K-path input Fat band, Copy K-path from materialscloud
phonon none Yes
TDDFT no yes
NEB no yes
On Development no yes