Update to v0.10.0

Description:

This update adds support for SQR simulations, providing the necessary tasks to
create wave functions and operators as well as the Bose-Hubbard system.
Some minor fixes were also required (e.g. in the propagation task) to work with
these distinguishable DoFs.
The Bose-Hubbard model has also been implemented as a MCTDHB system to be able to
compare the two approaches.

Breaking Change: From now on file extensions have to be specified manually.
Tasks do not add extensions like .mb_opr or .wfn by default anymore.

Furthermore, some bugs were fixed and many dependencies have been updated.

Included Commits:

• 8cffd7c: (HEAD -> master, origin/master, origin/HEAD) Fix file extesion for mb operator pickle files.
• ee875a7: Merge pull request #151 from f-koehler/dependabot/pip/memory-profiler-tw-0.58.0
• d11d4c3: Update memory-profiler requirement from ^0.57.0 to ^0.58.0
• ce6d0d1: Do not use exproj for SQR simulation. It seems that this projector does not work for SQR.
• 789fc1c: Fix initial filling for SQR.
• 799b859: Use clearer naming in SQR penalty term.
• 7b46f4b: Clean up DVR module.
• 2ba85f5: Add correlator for Bose-Hubbard model.
• c749121: Merge branch 'master' of github.com:f-koehler/mlxtk into master
• b31011a: Fix hardcoded file extension expectation value task.
• 08c3c6d: Implement terms of type n_i n_j in MCTDHB Bose-Hubbard model.
• 48f910b: Implement occupation operators for MCTDHB BoseHubbard model.
• e42f87a: Fix site occupation squared operator.
• 57d3853: Add site occupation operators for SQR.
• 7f6a2f6: Remove erroneous default file extensions in static expval task.
• 93bb5eb: Remove old print statement.
• f8930e9: Fix a bug in a regex used in the natpop ASCII reader when the node number has two digits. In this situation, a whitespace is not present anymore.
• 1abb456: Merge pull request #150 from f-koehler/dependabot/pip/mypy-tw-0.790
• 5f153ef: Update mypy requirement from ^0.782 to ^0.790
• e4132ac: Add MCTDHB BoseHubbard example and fix some bugs in the corresponding modules.
• cf468d8: Implement interaction term and Hamiltonian in MCTDHB BoseHubbard.
• 574144c: Handle penalty=0 in BoseHubbard by not creating term.
• 929394d: Fix bug in BoseHubbard system.
• e0843db: Do not create hopping/interaction term if not necessary.
• 3e0fc7c: Add hopping constant to BoseHubbard model.
• 75cfd8c: Merge pull request #149 from f-koehler/dependabot/pip/rope-tw-0.18.0
• 99e97c9: Update rope requirement from ^0.17.0 to ^0.18.0
• 8039ae6: Introduce m parameter to SQR example.
• 22feb88: Increase verbosity of SQR Wfn task.
• b2688e1: Add function to map numpy types when serializing parameters to JSON.
• e7b6f1c: Fix two typos.
• 819ad92: Use caret specification of dependencies.
• 606cde9: Fix interaction strength factor in SQR Bose-Hubbard interaction term.
• ba8dcc1: Add SQR example.
• 4f3e375: Remove file extensions from tasks (some might still be to be done).
• 9b0397f: Fix some imports.
• 2925f50: Add option for penalty strength in SQR BoseHubbard Hamiltonian.
• 8d289d0: Rename SQR module to sqr.
• 160bc99: Add task to create SQR wave function.
• d4914e8: Merge pull request #147 from f-koehler/dependabot/pip/flake8-3.8.4
• 17bdab1: Merge pull request #148 from f-koehler/dependabot/pip/pytest-6.1.1
• 2dc3e39: Update pytest requirement from 6.1.0 to 6.1.1
• 1abacbd: Update flake8 requirement from 3.8.3 to 3.8.4
• 99d4e0e: Merge pull request #146 from f-koehler/dependabot/pip/isort-5.5.4
• 05edac1: Update isort requirement from 5.5.3 to 5.5.4
• a4a92eb: Start implementing MCTDHB Bose-Hubbard.
• 57b4ebf: Merge branch 'master' of github.com:f-koehler/mlxtk into master
• 4b1507d: Implement SQR DVR and Bose-Hubbard (SQR).
• bf98a69: Add export scripts for ouput and expval.
• 1afdbfa: Merge pull request #145 from f-koehler/dependabot/pip/tqdm-4.50.0
• 2e6d8d9: Merge pull request #144 from f-koehler/dependabot/pip/pytest-6.1.0
• cee225e: Update tqdm requirement from 4.49.0 to 4.50.0
• 73089a8: Update pytest requirement from 6.0.2 to 6.1.0
• a104127: Merge pull request #143 from f-koehler/dependabot/add-v2-config-file
• 2eed4f1: (origin/dependabot/add-v2-config-file) Create Dependabot config file
• 2196c7f: Add pre-commit config.
• f396393: Merge pull request #140 from f-koehler/dependabot/pip/isort-5.5.3
• 062c718: Update isort requirement from 5.5.2 to 5.5.3
• 304ad33: Merge pull request #139 from f-koehler/dependabot/pip/matplotlib-3.3.2
• 461dd39: Update matplotlib requirement from 3.3.1 to 3.3.2
• 57b296e: Revert "Fix normalization of truncated CoM operators."
• 9072b14: Fix normalization of truncated CoM operators.
• 38d221f: Update isort to 5.5.2.
• 482284c: Merge pull request #136 from f-koehler/dependabot/pip/pyside2-5.15.1
• a54c892: Merge pull request #135 from f-koehler/dependabot/pip/numpy-1.19.2
• 807adc0: Merge pull request #137 from f-koehler/dependabot/pip/tqdm-4.49.0
• 4d37442: Update numpy requirement from 1.19.1 to 1.19.2
• 456c0c6: Update pyside2 requirement from 5.15.0 to 5.15.1
• 0779463: Merge pull request #132 from f-koehler/dependabot/pip/doit-0.33.1
• 9728659: Merge pull request #133 from f-koehler/dependabot/pip/pandas-1.1.2
• 04a7176: Merge pull request #138 from f-koehler/dependabot/pip/pytest-6.0.2
• 15270b0: Update pytest requirement from 6.0.1 to 6.0.2
• 228b20d: Update tqdm requirement from 4.48.2 to 4.49.0
• d099b6c: Update pandas requirement from 1.1.1 to 1.1.2
• 9a6660f: Update doit requirement from 0.33 to 0.33.1
• 559324f: Upgrade doit.
• f15b086: Merge pull request #128 from f-koehler/dependabot/pip/prompt-toolkit-3.0.7
• fd080e5: Update prompt-toolkit requirement from 3.0.6 to 3.0.7
• a8dcd49: Reformat code using new black version.
• 88834c2: Merge pull request #127 from f-koehler/dependabot/pip/black-20.8b1
• 3d39ad7: Update black requirement from 19.10b0 to 20.8b1
• 33259d0: Re-enable pylint.
• 649eca7: Merge pull request #126 from f-koehler/dependabot/pip/pandas-1.1.1
• 4cf9c7d: Update pandas requirement from 1.1.0 to 1.1.1
• 61f6b64: Update isort to 5.4.2 and reformat code.
• 496b66c: Disable pylint for now.
• c7ab52c: Merge pull request #125 from f-koehler/dependabot/pip/matplotlib-3.3.1
• 2ced6f7: Update matplotlib requirement from 3.3.0 to 3.3.1
• 56034a4: Merge pull request #124 from f-koehler/dependabot/pip/prompt-toolkit-3.0.6
• d2e0c6b: Update prompt-toolkit requirement from 3.0.5 to 3.0.6
• 0c8835b: Merge branch 'master' of github.com:f-koehler/mlxtk into master
• 52dbba8: Add export script for gpop.
• 91c13f5: Merge pull request #123 from f-koehler/dependabot/pip/sympy-1.6.2
• 4abc996: Update sympy requirement from 1.6.1 to 1.6.2
• 4943c9f: Merge pull request #122 from f-koehler/dependabot/pip/tqdm-4.48.2
• 11dd0c0: Update tqdm requirement from 4.48.1 to 4.48.2
• bb375c9: Merge pull request #121 from f-koehler/dependabot/pip/tqdm-4.48.1
• aeb28c8: Update tqdm requirement from 4.48.0 to 4.48.1
• 57500e8: Merge pull request #120 from f-koehler/dependabot/pip/pytest-6.0.1
• 74876c7: Update pytest requirement from 6.0.0 to 6.0.1

Update to v0.9.0

Description:

This update implements the functionalities to create ML-X simulations of Bose-Bose mixtures.
Therefore a new task has been added to create the initial wave function.
A generic Bose-Bose system as well as a colliding Gaussian well system have been added to the systems module.

Furthermore, some bugs were fixed and many dependencies have been updated.

Included Commits:

• 168b097: Fix typo in compute g1 script.
• 2a04f15: Add option to normalize g1/g2 to the maximum of rho1/rho2.
• dd913a2: Disable pyup; it does not resolve the full dependency graph when checking for updates which leads to conflicts.
• 022897f: Merge pull request #117 from f-koehler/dependabot/pip/scipy-1.5.2
• d61a3c8: Merge pull request #116 from f-koehler/pyup-update-scipy-1.5.1-to-1.5.2
• 1bc39f8: Update scipy requirement from 1.5.1 to 1.5.2
• e0904cb: Update scipy from 1.5.1 to 1.5.2
• 2c25e73: Change normalization of truncated CoM operators.
• 5fd93b9: Add function to compute one-body Hamiltonian of two moved Gaussian traps.
• c81b66a: Merge pull request #115 from f-koehler/dependabot/pip/numpy-1.19.1
• 84c2f0f: Merge pull request #114 from f-koehler/pyup-update-numpy-1.19.0-to-1.19.1
• 8f639e1: Update numpy requirement from 1.19.0 to 1.19.1
• 7f8c56a: Update numpy from 1.19.0 to 1.19.1
• 840bd86: Add some checks when trying to delete a simulation directory in wave function DB.
• d427f79: Merge branch 'master' of github.com:f-koehler/mlxtk
• c6e454b: Skip not executed simulations when repickling.
• 7a18b10: Merge pull request #112 from f-koehler/dependabot/pip/jedi-0.17.2
• 17a3445: Merge pull request #109 from f-koehler/pyup-update-jedi-0.17.1-to-0.17.2
• 3beba41: Update jedi requirement from 0.17.1 to 0.17.2
• ff7e207: Update jedi from 0.17.1 to 0.17.2
• 84caea5: Merge pull request #108 from f-koehler/dependabot/pip/matplotlib-3.3.0
• 1b4b84f: Merge pull request #107 from f-koehler/dependabot/pip/tqdm-4.48.0
• 547ae18: Merge pull request #105 from f-koehler/pyup-update-matplotlib-3.2.2-to-3.3.0
• b9cfb26: Merge pull request #106 from f-koehler/pyup-update-tqdm-4.47.0-to-4.48.0
• 7901c4c: Update matplotlib requirement from 3.2.2 to 3.3.0
• a0eb2fe: Update tqdm requirement from 4.47.0 to 4.48.0
• 53ac685: Update tqdm from 4.47.0 to 4.48.0
• 2711f91: Update matplotlib from 3.2.2 to 3.3.0
• ba3f011: Fix bug in lattice system.
• b2a0ae0: Fix parameter order in recoil conversion.
• 8d74a44: Fix parameters of lattice system.
• 3d18f53: Make convert_recoil_energy a staticmethod.
• 5c3d3bb: Rename lattice class.
• eb36922: Add experimental lattice system.
• 3c22d3d: Fix com_B operator.
• f77fae6: Add CoM operator to Bose-Bose systems.
• 6fcaa9c: Merge pull request #96 from f-koehler/dependabot/pip/scipy-1.5.1
• 53019d0: Merge pull request #94 from f-koehler/pyup-update-scipy-1.5.0-to-1.5.1
• 2acab3d: Update scipy requirement from 1.5.0 to 1.5.1
• a244248: Update scipy from 1.5.0 to 1.5.1
• 69873c1: Fix colliding Hamiltonian.
• 9f9336a: Merge branch 'master' of github.com:f-koehler/mlxtk
• 73aab77: Ignore rope files.
• eeb38f8: Cleanup tasks module.
• a77f832: Fix various issues in the Bose-Bose systems.
• 091cfaa: Fix issues in Bose-Bose wfn. module.
• aef470e: Add example for Bose-Bose system.
• ae6f52e: Add missing operators.
• 62e1694: Merge pull request #90 from f-koehler/dependabot/pip/sympy-1.6.1
• 80f7954: Merge pull request #89 from f-koehler/pyup-update-sympy-1.6-to-1.6.1
• b4ba595: Update sympy requirement from 1.6 to 1.6.1
• 2754410: Add memory_profiler dep; update requirements.txt.
• b06072e: Update sympy from 1.6 to 1.6.1
• 2050219: Add a test Bose-Bose system.

Update to v0.8.5

Description:

In this update I have added a task to compute momentum distributions using qdtk_analysis.x and added a plotting script.
A lot of dependencies have been updated and the code has been reformatted using black.

Included Commits:

• 59751bc: Reformat codebase with black.
• 802631d: Update dev dependencies.
• 5a71fb2: Update tqdm.
• 2408950: Merge pull request #88 from f-koehler/dependabot/pip/tqdm-4.47.0
• e8d5864: Plot average in momentum distribution script.
• 7b4ce63: Update tqdm requirement from 4.46.1 to 4.47.0
• 9d05320: Add two scripts to recalculate pickle files in simulations/scans and update the doit state database. This can be necessary if the pickle protocol is changed in the library or if the pickle output for something (e.g. numpy arrays) changes (maybe due to a change in the underlying library).
• ee90676: Use a shift of the trap as a quench in HO example.
• a575cc5: Initial implementation of momentum distribution tools.
• ecdef15: Update mypy.
• 2b3b271: Merge pull request #86 from f-koehler/pyup-update-mypy-0.781-to-0.782
• 5c1f09d: Update mypy from 0.781 to 0.782
• c536a99: Add log plot options to gpop plot script; add some type hints.
• 304b4ae: Merge pull request #80 from f-koehler/pyup-update-mypy-0.780-to-0.781
• 9ace44e: Merge branch 'master' into pyup-update-mypy-0.780-to-0.781
• 96c92f3: Merge pull request #83 from f-koehler/dependabot/pip/mypy-0.781
• ca72a2f: Update mypy requirement from 0.780 to 0.781
• b61456f: Update numpy requirement from 1.18.5 to 1.19.0
• b732567: Update numpy from 1.18.5 to 1.19.0
• 8e027f5: Update scipy requirement from 1.4.1 to 1.5.0
• 02fb4ae: Update scipy from 1.4.1 to 1.5.0
• 1a76358: Update mypy from 0.780 to 0.781
• e565494: Update pandas to 1.0.5.
• a8efd87: Update pandas from 1.0.4 to 1.0.5

Update to v0.8.4

Description:

Update various dependencies and add tools to study parity properties of single particle functions.

Included Commits:

• 92a9055: Update matplotlib dep.
• 713f69e: Update matplotlib requirement from 3.2.1 to 3.2.2
• 2f60ecd: Add tools to study one-body state parity.
• 041c705: Update pathos requirement from 0.2.5 to 0.2.6
• b47a576: Update pathos from 0.2.5 to 0.2.6
• d53a1f7: Add doit analysis for entropy.
• 0398964: Fix bug related to grabbing framse from PSI files.
• 3c3dc65: Update pylint to version 2.5.3.
• 4a96e25: Update pylint from 2.5.2 to 2.5.3
• 6781cca: Update tqdm requirement from 4.46.0 to 4.46.1
• eefe263: Update tqdm from 4.46.0 to 4.46.1
• 3336290: Update mypy requirement from 0.770 to 0.780
• accb3c8: Merge branch 'pyup-update-mypy-0.770-to-0.780'
• 8e70c25: Merge branch 'master' into pyup-update-mypy-0.770-to-0.780
• 8d2c09a: Update numpy requirement from 1.18.4 to 1.18.5
• 9fcbbcc: Update numpy from 1.18.4 to 1.18.5
• 0f45c51: Update mypy from 0.770 to 0.780
• db23bef: Update pytest requirement from 5.4.2 to 5.4.3
• 46b378c: Update pytest from 5.4.2 to 5.4.3
• 88385f2: Update pandas requirement from 1.0.3 to 1.0.4
• 55a782d: Update pandas from 1.0.3 to 1.0.4
• 096ba44: Update requiremenets.txt.
• 2022670: Merge pull request #64 from f-koehler/dependabot/pip/pyside2-5.15.0
• 1b55093: Update pyside2 requirement from 5.14.2.1 to 5.15.0

Update to v0.8.3

Description:

This update changes some of the projects supporting infrastructure.
We pinned the versions of dependencies and use requires.io to get informed about updates.

Included Commits:

• b79dfb0: Add sympy==1.6 to requirements.txt.
• 8997b64: Merge pull request #63 from f-koehler/dependabot/pip/sympy-1.6
• fb760a5: Update sympy requirement from 1.5.1 to 1.6
• b204c98: Merge branch 'master' of github.com:f-koehler/mlxtk
• abb91a4: Change titles in g1 and g2 animations to indicate that the absolute value is shown.
• bf26267: Update tuna version in pyproject.toml.
• df99ae2: Merge pull request #61 from f-koehler/pyup-update-tuna-0.4.4-to-0.4.5
• 737a1be: Update tuna from 0.4.4 to 0.4.5
• 42bde68: Add pyup.io and requires.io badges.
• 0e6a337: Remove some old tools.
• b388a26: Generate requirements.txt for pyup/requires.io.
• 374c652: Pin dependency versions.
• c40c81d: Allow the read_psi_ascii function to read wave function files in addition to psi files.
• 5860b98: Add .editorconfig.
• 263674d: Add dephell as dev dependency.

Update to v0.8.2

Description:

This is a small update release which updates some dependencies and adds some gauge related flags to the propagation task.
Furthermore, SingleSpecies-simulations now have a method to get only the postition operator as a one-body operator.

Included Commits:

• 9a74fc7: Reformat code using yapf==0.30.0.
• 6927cc9: Merge pull request #58 from f-koehler/dependabot/pip/yapf-tw-0.30
• 5ebac82: Update yapf requirement from ^0.29 to ^0.30
• 51780e3: Enforce new versions of some dependencies.
• a4a5faa: Add gauge related flags to propagation task.
• 1b81108: Add function to obtain the position operator to single_species systems.
• c541e66: Update pandas dependency.

Update to v0.8.1

Description:

This update adds a lot of functions to manually compute tensor elements in order to debug ml-x.
Furthermore, the WaveFunctionDB class now has a command to remove wave functions and a nice terminal UI for this purpose.
When using a gauge, the constraint error is added to propagate.h5.
Various small fixes are also included and I got rid of all relative imports in order to increase readability.

Included Commits:

• 76ce10f: Get rid of relative imports.
• abbfe85: Add function to remove wave functions from wavefunction databases and a corresponding terminal based UI.
• ac0d5ea: Add constraint error to propagate.h5.
• d70fb3d: Streamline poetry and direnv workflow.
• 2a158e4: Fix workind-dir issue in WaveFunctionDB.
• bd082fe: Add set_to method to Parameters class.
• bdfaea8: Add minimum spacing option for peak detection; add .envrc file.
• 9533a5d: Work on one-body tensors in SPF representation.
• dae77d2: Implement arithmetic operations for arbitrary units.
• fe77985: Add function to compute kinetic/potential term in SPF representation.
• 78b0c57: Add naive implementation for dmat/dmat2 spf tensors.
• 1d37a70: Make normalization of density matrix tensors optional.
• c390175: Change code for dmat1 spf tensor.
• 88346c9: Add function to compute dmat2 in SPF representation.
• d8e00dc: Rename function to compute dmat.
• 36e8297: Add function to compute dmat in SPF representation; move number state related code to extra module.
• 772969b: Reformat code.
• 629d5c4: Add example to compute delta interaction in spf representation.
• 2dbece9: Add unittest for delta interaction (DVR representation).
• e664bd4: Add pytest dependency.
• 2fe5d5c: Add functions to directly get matrix/eigenvectors+eigenvalues from OperatorSpecification.
• 2787bb1: Move operator specification classes to extra module.
• 04d62e0: Add module to compute delta interaction tensors.
• c5110e8: Correctly copy indices when fixing a parameter in a parameter selection.
• c3e68ee: Add function to create directory.
• 395fdc5: Add script to extract MCTDHB spfs.
• 8bdf92f: Append to HDF5 files when computing dmat/dmat2.
• ca65854: Update vscode settings.
• 5da8838: Add function to list directories and to create relative symlinks.
• ef292de: Fix bug in momentum operator.
• 8c465f6: Add script to anmiate dmat.
• 8768649: Add missing string conversion for arbitrary units; add remove_file function.
• b025235: Add a script for 1b projector in the harmonic trap example.
• f388222: Add script to extract a single eigenfunction from a one-body operator.
• 8bdda5b: Set default simulation name.
• 9e9bebc: Add new task to compute overlap between MCTDHB wavefunctions.
• 388d1ce: Add function and task type to grab a frame from a psi file; store total magnitude in fixed_ns task.
• e02d654: Allow python==3.6.
• 2ef36ca: Update minimal required pyside2 version and allow Python 3.8.
• e206f16: Import single species systems.

Update to v0.8.0

Description:

This update adds a lot of functionality most related to density matrix and correlation function analysis (plot scripts, I/O routines).
Furthermore, some more signal analysis routines are provided and expectation values can be plotted in frequency space.
Some specialized scripts have been added to create video animations.

Included Commits:

• ff8e226: Update dependency doit to 0.32.0.
• d81e81c: Add momentum operator to single-species system.
• 32f493e: Reformat signal.py.
• 1562c59: Add routine to detect sign changes in a numpy array.
• 0edc105: Make fft available via a standard signal processing routine.
• 45ab892: Add option to plot expectation value in frequency space.
• 2f69500: Fix usage of plotting args in animate scripts.
• eb861eb: Add scripts to animate two-body density and g1/g2 correlation functions.
• ce9ba75: Merge branch 'master' of github.com:f-koehler/mlxtk
• 441cc76: Add diff option for compute_g1 script.
• c1415e2: Add diff option for compute_g1 script.
• b0fddc2: Add a script to animate one-body density; create symlinks instead of copying files when creating a slideshow.
• c653afc: Use temporary directory for recreate_output.py script.
• f892f98: Format code with yapf=0.29.0.
• 41552d7: Add a script to recreate output from a psi and an operator file.
• e65e7e9: Add another way to calculate two-body correlation functions.
• 784f010: Merge branch 'master' of github.com:f-koehler/mlxtk
• c2f19b1: Add support to read ASCII files to slider_dmat and slider_dmat2.
• 9fb824b: Merge pull request #54 from f-koehler/dependabot/pip/yapf-tw-0.29
• 66a1e10: Update yapf requirement from ^0.28 to ^0.29
• 6bef7e3: Add function to filter parameter scan combinations.
• af11c89: Add momentum option to slider_gpop.
• e3da941: Work on slider scripts for dmat1 and dmat2.
• 0e55b74: Update sliders for dmat/dmat2 (grid representation).
• 9b427df: Update gpop slider script.
• fe789ae: Remove old .ui files.
• bcb065e: Fix some linter issues.
• cbd8e8f: Add a slider script for g2.
• 439810e: Add g slider script.
• 47e8f13: Add I/O routines for g1/g2.
• ca39658: Add a script to compute g1.
• 605ed3b: Add script to compute g1.
• 91bdbe1: Add a script to compute g2 (have to change I/O though, also the dmat2_slider script needs fixing).
• 22a6582: Add a script to compute dmat2.
• 57df2e7: Change compute_dmat.py script to use a real temporary directory.
• 11f5d9a: Add script to for dmat analysis and improve dmat I/O routines.
• f3504cd: Remove some old tooling configs and cleanup script module.
• 9276244: Pin pickle protocol to v3.
• 2e28599: Merge pull request #53 from f-koehler/dependabot/pip/numpy-1.17.4
• d9a1c33: (origin/dependabot/pip/numpy-1.17.4) Update numpy requirement from 1.17.3 to 1.17.4
• f097af3: Save g1 and g2 as HDF5.
• e7bd29c: Add missing return value to compute_g2 function.
• 67286b1: Add code to compute g1 and g2; add function load and save dmat to ASCII file in gridrep; add slider script to plot dmat.
• b2fc422: Add a script to create a slideshow from individual frames.
• 4db080a: Ignore missing image files in create_slideshow.

Update to v0.7.7

Description:

Add some functions to create slideshow videos (currently for gpop and natpop).

Included Commits:

• 9de2728: Fix output file names for slideshows.
• f8e6e24: Fix the output path in natpop slideshow.
• ce566cc: Add function to create a natpop slideshow.
• 0dd8b61: Add methods to create slideshows using ffmpeg.
• 8968ad2: Add some badges to highlight some information about the project.
• e2a4d23: Add tuna as a dependency.
• e0fd375: Merge pull request #52 from f-koehler/dependabot/pip/numpy-1.17.3
• d53b879: Merge pull request #51 from f-koehler/dependabot/pip/mypy-tw-0.740
• 8a74f86: Update numpy requirement from 1.17.2 to 1.17.3
• 6c82f20: Update mypy requirement from ^0.730 to ^0.740
• b8ca92b: Weight com operators with the particle number.
• 2b379f1: Remove .pdf from the list of default output formats and add doit task to plot variance.
• 74efa9b: Change file extension for variance files.
• 4d323c3: Set default output formats for doit plots to only .png.
• eb8d932: Fix propagation status check.

Update to v0.7.6

Description:

This update changes only internals. The code for simulations and simulation sets has been refactored.

Included Commits:

• af4bc9a: Fix ParameterSelection and WaveFunctionDB to work with the latest version of SimulationSet.
• edb65dd: Move cli argument handling to daughter classes.
• f1832c8: Refactor argument parsing in Simulation and SimulationSet.
• ed2f5c8: Add some type info for the splitted classes.
• fa134c9: Fix parameter_scan.py to reflect latest changes in the SimulationSet class.
• 50159d4: Add a subparsers variable to SimulationSet.
• c18deeb: Move construction of CLI interface for SimulaztionSet to extra file.
• c968f3a: Split simulation set into multiple files.
• 84998ac: Split simulation class into multiple files.