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Imperial College London
- 80 Wood Lane, London, United Kingdom
Pinned Loading
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crystal_shape_control
crystal_shape_control PublicForked from cmsg-icl/crystal_shape_control
The repository for Imperial-BASF research project on multi-scale modelling of molecular crystals.
Jupyter Notebook
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CRYSTALpytools
CRYSTALpytools PublicForked from crystal-code-tools/CRYSTALpytools
This repository contains functions to be used with CRYSTAL.
Python
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CRYSTALpytools-dev
CRYSTALpytools-dev PublicForked from crystal-code-tools/CRYSTALpytools-dev
The developing version of CRYSTALpytools
Jupyter Notebook
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HPC-job-submission
HPC-job-submission PublicForked from cmsg-icl/HPC-job-submission
Job submission scripts for clusters and work station
Shell 1
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DFT-scripts
DFT-scripts PublicContains useful classes, scripts developed during periodic DFT research. Note the generality is an important consideration.
Python
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