Installation of DJMOL

Installation of Binary

General Information:

This descibes how to install Binary of DJMol.

The following programs are required (Mandate) to Run the software

Running DJMol v 2.1 in Windows 10 OS 64 bit

  • Unzip the file, <dmolplatform1.zip> and Copy all the files/folders from the <./Auxilary> folder into <./djmolplatform1/.>. See https://www.youtube.com/watch?v=zm6Mbh0T1m8 for the demonstration.

  • To adjust the Resolution of the program Right click on <djmolplatform164.exe> then move to <Compatibility> tab and click on <Change high DPI settings> and Select the option “Override high DPI scaling behavior”.

  • Please follow the instruction in the <PathVariablesSetting_v2.pdf> file.

DJMol program can be now simply executed by double clicking <djmolplatform164.exe> which is located in <bin> folder.

Note

Note that for the First Time of the execution, you may want to select, <Disable Modules and Continue> option. To fix this, you can try to clean your user-directory as it is mentioned in http://wiki.netbeans.org/FaqWhatIsUserdir

Compilation from the source code

General-Information

All of the DJMol Program was compiled by using Netbeans IDE, v 8.2 (64bit) for Windows 64 OS.

This program and all other mandate packages for compiling the software are availble at free of cost and to download these packages please see: https://djmolprogram.github.io

  • JAVA1.8 jdk-8u201-windows-x64.exe

  • Netbeans 8.2 netbeans-8.2-javaee-windows.exe

  • Python pluggin 2017-08-29-nbpython-nbms.zip

  • Python 3.7.2 python-3.7.2-amd64.exe

  • Pip script get-pip.py

  • Numpy numpy-1.16.0+mkl-cp37-cp37m-win_amd64.whl

We also used (64 bit) python packages: - scipy 1.2.1 - numpy 1.16.0 - ASE 3.17.0 - Matplotlib 3.0.3

And these programs can be downloaded by using pip.

Compiling Main-Program <DJMolplatform>

  • Open the Project Directory, <DJMolCompPhysComm_2020_BETAformat> and Compile and Build DJMol program.

    See https://www.youtube.com/watch?v=9gQzd9qnjN0 for its demonstration.

  • Then make a Zip Distribution (by Selecting project <DJmol Platform v2.1> followed by selecting

    <Package as>, <Zip Distribution>). A new <dist> folder will be created and it holds the Zip file.

  • Go to <dist> folder and unzip the file and Copy all the files/folders from the <Auxilary> folder into <distdjmolplatform1>. See https://www.youtube.com/watch?v=zm6Mbh0T1m8 for the demonstration.

  • Go to <distdjmolplatform1etc> and replace the the following line in the <djmolplatform1.CONF> file:

    default_options="--branding djmolplatform1 -J-Xms24m -J-Xmx64m"

    to

    default_options="--branding djmolplatform1 -J-Xms240m -J-Xmx640m" (meaning RAM is defined between 240-640MB for DJMol)
  • To adjust the Resolution of the program Right click on <djmolplatform164.exe> then move to

    <Compatibility> tab and click on <Change high DPI settings> and Select the option “Override high DPI scaling behavior”.

  • Please follow the instruction in the PathVariablesSetting_v2.pdf file.

DJMol program can be now simply executed by double clicking <djmolplatform164.exe> which is located in <bin> folder.

Note that for the First Time of the execution, you may want to select, <Disable Modules and Continue> option. To fix this, you can try to clean your user-directory as it is mentioned in http://wiki.netbeans.org/FaqWhatIsUserdir

Compiling Add-On Programs:

See <AddOns_compilation.txt> in Add-On directory.

For Furthur info: Please see the <DJMol Channel> on <Compilation> and <Installation>.

System Requirements

  • Software:

    • Windows 7/10 64 bit OS

    • Java 1.8 or later, Python 3.x

  • Hardware:

    • At least 20 GB free space to install DJMol and add-ons.

    • Preferred RAM size is 4 GB or higher.