Quick Start

Install chemcomp (see Installation)

Activate environment:

conda activate chemcomp

create a run directory (e.g., chemcomp_runs) somewhere, where you want to run and store your simulations.

mkdir chemcomp_runs
cd chemcomp_runs

Configure your run and get it running.

# a single run config:
chemcomp_main -c <path to config file>

# probing multiple parameters:
chemcomp_pipeline -c <path to config file> -j <path to job file> -d 0 -o 0

Head over to see Configuration to understand the run scripts!

Running chemcomp will create the following folders (if not existing) in the current working directory:

chemcomp_run
├── config              # directory where the config files of the mesh will be stored
├── output              # output files
├── zip_output          # Storage of the ziped output files

If you want to know how to open and plot these files, head over to Output!

Examples

You can find a few examples in the jobs and config folder. These examples will help you to understand, how chemcomp has been used to create some figures in the original publications.

These examples include:

  • jobs/paper_1_disk.yaml

    Job file, used to generate the disk models in the first chemcomp paper (Schneider & Bitsch 2021a)

  • jobs/paper_1_grid_thorngren.yaml

    Job file, used to generate the grid of planets to compare the heavy element content in the first chemcomp paper (Schneider & Bitsch 2021a)

  • jobs/paper_1_grid_thorngren.yaml

    Job file, used to generate the growthtracks of planets in the first chemcomp paper (Schneider & Bitsch 2021a)

  • jobs/paper_2_Jupiter.yaml

    Job file, used to generate Jupiter like planets for the second chemcomp paper (Schneider & Bitsch 2021b)

  • jobs/mstar01_C60.yaml

    Job file, used to generate a disc around a 0.1 M_Sun star (Mah, Bitsch et al. 2023). Job files for other stellar masses are also included, check out the jobs folder! These job files are to be used with the corresponding config files because all the disk parameters are defined in the config files.

  • jobs/mstar01_C60_moreCO.yaml

    Job file, used to generate a disc around a 0.1 M_Sun star but with more CO and less CH4 in the disc (Mah, Bitsch et al. 2023). Use this with the corresponding config file.

  • jobs/mstar01_C60_001.yaml

    Job file, used to generate a less massive disc around a 0.1 M_Sun star (Mah, Bitsch et al. 2023). Use this with the corresponding config file.