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Installation
Ondřej Krejčí edited this page Aug 3, 2026
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Tested on Linux local machines and computational clusters and MAC. Ensure you have Conda installed.
Important note on C++ compilation here
Choose the environment that best fits your needs:
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Full Environment (ppstm):
conda env create -f environment.yml conda activate ppstm python -m ipykernel install --user --name=ppstm
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Dev Environment with Intel GPU (ppstm-dev):
conda env create -f environment_dev_gpu_intel.yml conda activate ppstm-dev python -m ipykernel install --user --name=ppstm-dev
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Dev Environment with system-wide ICDs (ppstm-dev):
conda env create -f environment_dev_icd_system.yml conda activate ppstm-dev python -m ipykernel install --user --name=ppstm-dev
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Minimal Environment (ppstm-min):
conda env create -f environment_min.yml conda activate ppstm-min
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Full Environment (ppstm):
conda env create -f environment_mac.yml conda activate ppstm-mac python -m ipykernel install --user --name=ppstm-mac
- Windows not tested, please contact us, if you run into problems
- Decided automatically depending on the system
OMP_NUM_THREADSvariable -- if it is 1, or not set, then serial ; otherwise OpenMP. - Code is compiled each time it is run,
Compiled C++ libraries are necessary for running many parts of the code. They should be compiled automatically, if they are not compiled beforehand. If you want to do development on the C++, consider:
set PPSTM_RECOMPILE=1
So they are compiled automatically anytime the code is run.
- Overview
- Compilation and Installation
- Developers
- Literature
- Preparing-inputs-with-DFT-codes
- PPSTM_simple.py
- GUI for PPSTM code
- Scripting and Development
- Usage examples
- TODO
- Contact
- Installation
- Creating Inputs
- Prepare for Flexible Tip Simulations
- Reading parameters
- Running parameters
- Usage examples
PP-AFM alias Probe Particle Model (To be updated for new repository later)