Skip to content

Commit

Permalink
initial commit
Browse files Browse the repository at this point in the history
  • Loading branch information
ronandrevon committed Mar 8, 2022
1 parent dcdabc7 commit 3aaf9a1
Show file tree
Hide file tree
Showing 36 changed files with 20,035 additions and 1 deletion.
133 changes: 133 additions & 0 deletions .gitignore
Original file line number Diff line number Diff line change
@@ -0,0 +1,133 @@
# Byte-compiled / optimized / DLL files
__pycache__/
*.py[cod]
*$py.class

# C extensions

# Distribution / packaging
.Python
build/
develop-eggs/
dist/
downloads/
eggs/
.eggs/
lib/
lib64/
parts/
sdist/
var/
wheels/
pip-wheel-metadata/
share/python-wheels/
*.egg-info/
.installed.cfg
*.egg
MANIFEST

# PyInstaller
# Usually these files are written by a python script from a template
# before PyInstaller builds the exe, so as to inject date/other infos into it.
*.manifest
*.spec

# Installer logs
pip-log.txt
pip-delete-this-directory.txt

# Unit test / coverage reports
htmlcov/
.tox/
.nox/
.coverage
.coverage.*
.cache
nosetests.xml
coverage.xml
*.cover
*.py,cover
.hypothesis/
.pytest_cache/
**/ref
**/out

# Translations
*.mo
*.pot

# Django stuff:
*.log
local_settings.py
db.sqlite3
db.sqlite3-journal

# Flask stuff:
instance/
.webassets-cache

# Scrapy stuff:
.scrapy

# Sphinx documentation
docs/_build/
docs/source/reference
docs/source/_static
docs/source/_templates

# PyBuilder
target/

# Jupyter Notebook
.ipynb_checkpoints

# IPython
profile_default/
ipython_config.py

# pyenv
.python-version

# pipenv
# According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control.
# However, in case of collaboration, if having platform-specific dependencies or dependencies
# having no cross-platform support, pipenv may install dependencies that don't work, or not
# install all needed dependencies.
#Pipfile.lock

# PEP 582; used by e.g. github.com/David-OConnor/pyflow
__pypackages__/

# Celery stuff
celerybeat-schedule
celerybeat.pid

# SageMath parsed files
*.sage.py

# Environments
.env
.venv
env/
venv/
ENV/
env.bak/
venv.bak/

# Spyder project settings
.spyderproject
.spyproject

# Rope project settings
.ropeproject

# mkdocs documentation
/site

# mypy
.mypy_cache/
.dmypy.json
dmypy.json

# Pyre type checker
.pyre/
4 changes: 3 additions & 1 deletion README.md
Original file line number Diff line number Diff line change
@@ -1 +1,3 @@
# multislice
# multislice

Electron diffraction simulator based on the Multislice algorithm. This library is essentially a python wrapper for temsim (Kirkland). It can be used to setup simulations and submit them as jobs on high performance computing resources.
7 changes: 7 additions & 0 deletions multislice/Makefile
Original file line number Diff line number Diff line change
@@ -0,0 +1,7 @@
DOC_DIR?=/home/tarik/Documents/git/ccp4/docs/projects/multislice
MD?=${DOC_DIR}/pyMultislice.md #&1 #STDOUT

slice_lib_main :
g++ temsim/slicelib_main.cpp bin/obj/slicelib.o -I temsim -o bin/slice_main
# doc_multislice :
# pydocmd simple multislice++ >${MD}
Empty file added multislice/__init__.py
Empty file.
Loading

0 comments on commit 3aaf9a1

Please sign in to comment.