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RUNNING gqteaMD-0.3.2.exe on WINDOWS

  1. Download gqteaMD-0.3.2.zip for Windows.
  2. Uncompress it into a folder of your choice.
  3. Open a command prompt and run:
  4. cd C:\your\work\dir\
  5. C:\where\you\put\gqteaMD\gqteaMD-0.3.2.exe run <*.toml file name>
  6. Consult the manual for more instructions.

BUILD gqteaMD FROM SOURCE CODE

1. Install python-3.11 or newer on your computer

2. Install Git from https://git-scm.com/install/windows 

3. To create a virtual enviroment

    -> python -m venv venv

  -> cd venv

  -> .\Script\Activate.ps1

4. Install the dependences

    -> pip install numpy

  -> pip install scipy

  -> pip install cclib

5. Create a folder for your code source and clone the gqteaWinToga

    -> mkdir src

    -> cd src

    -> git clone https://github.com/AdemirCamargo57/gqteaMD.git

6. Runnig the gqteaMD

        -> cd c:\your\workdir\

        -> ..\venv\Script\gqteaMD.exe run .\<tomlFileName>.toml

  

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