.gitignore

*.py[cod]
build
dist
lammps


# C extensions
*.so

# Packages
*.egg
*.egg-info
dist
build
eggs
parts
bin
var
sdist
develop-eggs
.installed.cfg
lib
lib64
.eggs

# Installer logs
pip-log.txt

# Unit test / coverage reports
.coverage
.tox
nosetests.xml

# Translations
*.mo

# Mr Developer
.mr.developer.cfg
.project
.pydevproject

#emacs files
\#*\#
*~

#Mac Files
*.DS_Store

#json interp files
*_interpreted.json

# intellij (for pycharm)
.idea
*.iml

# testing folder
testing

# Documentation
docs/_build/
htmlcov/

# Transient result data
tests/test_data/path_bin/100th_CEC_z2_4.log
tests/test_data/path_bin/100th_CEC_z2_4.xyz
**/pressed_*
*temp
tests/test_data/small_tests/add_head_tail_input_amend.txt
tests/test_data/to_sort/*
tests/test_data/lammps_proc/glu_prot_deprot_proc_data.csv
tests/test_data/lammps_proc/glue_dump_proc_data.csv
tests/test_data/lammps_proc/glue_dump_gofrs.csv
tests/test_data/lammps_proc/glu_prot_deprot_gofrs.csv
tests/test_data/fitevb/all_best.dat
tests/test_data/fitevb/all_best.csv
tests/test_data/fitevb/all_best_perc_diff.csv
tests/test_data/fitevb/fit.inp
tests/test_data/path_make/100th_CEC_z2_4_2016*
tests/new.pdb
tests/test_data/evb_info/1.500_20c_short_ci_sq_ts.csv
tests/test_data/lammps_proc/glue_dump_incomp_gofrs.csv
tests/reproduced_tpl.data
tests/test_data/evbd2d/0.625_20c_reorder_retype_548990.data
tests/test_data/cp2k_files/REF_15_2_502000
tests/test_data/converge_evb_par/conv_evb_test.ini
reproduced_tpl.pdb
tests/test_data/plot_csv/identity.png