diff --git a/.github/workflows/publish_doc_pages.yml b/.github/workflows/publish_doc_pages.yml
index a2f77650..8b2eab4f 100644
--- a/.github/workflows/publish_doc_pages.yml
+++ b/.github/workflows/publish_doc_pages.yml
@@ -4,12 +4,12 @@ on:
push:
branches:
- master
- - 'docs/**'
+ - 'doc/**'
pull_request:
branches:
- master
paths:
- - 'docs/**'
+ - 'doc/**'
workflow_dispatch:
@@ -34,17 +34,17 @@ jobs:
pip install -e ".[doc]"
- name: Build sphix doc
run: |
- sphinx-build docs docs/_build
+ sphinx-build doc doc/_build
- name: Deploy to github pages
uses: peaceiris/actions-gh-pages@v4
if: github.ref == 'refs/heads/master' && github.event_name == 'push'
with:
github_token: ${{ secrets.GITHUB_TOKEN }}
publish_branch: gh_pages
- publish_dir: docs/_build
+ publish_dir: doc/_build
- name: Upload preview when creating pull request
if: github.event_name == 'pull_request'
uses: actions/upload-artifact@v3
with:
name: docs_build_preview
- path: docs/_build
+ path: doc/_build
diff --git a/.gitignore b/.gitignore
index cc5cbc82..b68ac118 100644
--- a/.gitignore
+++ b/.gitignore
@@ -784,3 +784,4 @@ examples/ex1-ase/
/test-2/
*.pt
/README.html
+/doc/_build/
diff --git a/README.md b/README.md
index 01e779a4..d3df679c 100644
--- a/README.md
+++ b/README.md
@@ -7,10 +7,8 @@
SPARC-X-API is a versatile Python API for the real-space density
functional (DFT) package [SPARC](https://github.com/SPARC-X/SPARC)
-(**S**imulation **P**ackage for **A**b-initio **R**eal-**S**pace
-**C**alculations) distributed under the GPLv3 license.
-SPARC-X-API
-leverages the powerful Atomic Simulation Environment
+distributed under the GPLv3 license. SPARC-X-API leverages the
+powerful Atomic Simulation Environment
([ASE](https://wiki.fysik.dtu.dk/ase/)) framework for manipulating
input / output files, as well as running DFT calculations and analysis
via the SPARC code written in C/C++. Key features include:
@@ -19,7 +17,27 @@ via the SPARC code written in C/C++. Key features include:
2. A JSON Schema interfacing with SPARC's C/C++ code for parameter validation and conversion
3. A comprehensive calculator interface for SPARC with file I/O and socket-communication support.
-##
+## Overview
+
+SPARC-X-API is part of the [SPARC-X
+project](https://github.com/SPARC-X), a collection of open-source
+packages aim to provide modern and efficient implementation of real
+space DFT simulations, led by the research groups of Phanish
+Suryanarayana and Andrew J. Medford from Georgia Tech. The name SPARC
+stands for **S**imulation **P**ackage for **A**b-initio
+**R**eal-**S**pace **C**alculations, which comes in two variations:
+- [**M-SPARC**](https://github.com/SPARC-X/M-SPARC): self-consistent
+ Matlab code for algorithm prototyping and testing
+- [**SPARC**](https://github.com/SPARC-X/SPARC): C/C++ implementation
+ of efficient production code scaling up to millions of atoms
+
+The SPARC-X project shares common input / output file formats, and
+parameter specification. SPARC-X-API serves as the interface that
+connects the core SPARC-X components with external workflows, as
+illustrated in the diagram below.
+
+
+
## Quick start
@@ -28,21 +46,17 @@ standard for seamless integration into other computational workflows.
### Installation
-We recommend to use the
-[`conda`](https://docs.conda.io/projects/conda/en/latest/index.html)
-for installation on UNIX systems.
+Install SPARC-X-API via
+[`conda`](https://docs.conda.io/projects/conda/en/latest/index.html).
```bash
conda install -c conda-forge sparc-x-api
```
-You can also install the pre-compiled SPARC binary alongside SPARC-X-API (Linux only).
+Install the pre-compiled SPARC binary alongside SPARC-X-API (Linux only).
```bash
conda install -c conda-forge sparc-x
```
-More installation options please see documentations for [installation]() and
-[environment setup]().
-
### Reading / Writing SPARC files
SPARC-X-API provides a file format `sparc` compatible with the ASE
@@ -86,8 +100,9 @@ print(SparcAPI().help_info("LATVEC"))
SPARC-X-API provides two ways to run a DFT calculation via SPARC C/C++ code:
-1. **File I/O mode**: generate input files, run a standard SPARC
- process and read results until calculation finishes. Suitable for:
+1. **File I/O mode**: classic way to drive SPARC calculation by
+ running a standard SPARC process with input files. Suitable for
+ things implemented internally in SPARC C/C++ codes:
- Single point evaluation
- Band structure calculations
- Structural optimization (SPARC internal routines)
@@ -116,17 +131,12 @@ atoms.get_potential_energy()
atoms.get_forces()
```
-
-
-
-
-
#### Socket mode
-With just a few parameters, you can switch to the socket mode, ideal
-for evaluating hundreds or thousands of single point DFT energy and
-forces with much less overhead and more flexibility compared with the
-file I/O mode:
+Switching to the socket mode requires just a few parameters, ideal for
+workflows with hundreds or thousands of single point DFT calls with
+much less overhead and more flexibility. An example for optimization
+using socket mode and ASE optimizer:
```python
from sparc.calculator import SPARC
@@ -140,7 +150,11 @@ with atoms.calc:
opt.run(fmax=0.01)
```
-
+## Documentation
+Please check the [full
+documentation](https://sparc-x.github.io/SPARC-X-API) for details
+regarding installation, usage, troubleshooting and contribution
+guidelines.
## How to cite
If you find SPARC-X-API help, please consider cite the relevant
@@ -158,38 +172,7 @@ For a full list of publications in the SPARC-X project please refer to:
- [M-SPARC development](https://github.com/SPARC-X/M-SPARC?tab=readme-ov-file#6-citation)
- [Pseudopotentials](https://github.com/SPARC-X/SPMS-psps?tab=readme-ov-file#citation)
-## Documentation
-
-Please check the [full
-documentation](https://sparc-x.github.io/sparc-x-api) for details
-regarding installation, usage, troubleshooting and contribution
-guidelines.
-
## Acknowledgment
-The authors gratefully acknowledge the support of the U.S. Department
-of Energy, Office of Science, under Grant No. DE-SC0019410 and
+The development of SPARC-X-API is supported by the U.S. Department of
+Energy, Office of Science, under Grant No. DE-SC0019410 and
DE-SC0023445.
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
-
diff --git a/docs/Makefile b/doc/Makefile
similarity index 100%
rename from docs/Makefile
rename to doc/Makefile
diff --git a/docs/advanced_socket.md b/doc/advanced_socket.md
similarity index 100%
rename from docs/advanced_socket.md
rename to doc/advanced_socket.md
diff --git a/doc/advanced_topics.md b/doc/advanced_topics.md
index 74b71ced..03893f65 100644
--- a/doc/advanced_topics.md
+++ b/doc/advanced_topics.md
@@ -1,3 +1,5 @@
+# Advanced Topics
+
## Advanced Topics
The design of `SPARC-X-API` is schematically shown in the following figure
diff --git a/docs/api_changes.md b/doc/api_changes.md
similarity index 100%
rename from docs/api_changes.md
rename to doc/api_changes.md
diff --git a/docs/basic_usage.md b/doc/basic_usage.md
similarity index 100%
rename from docs/basic_usage.md
rename to doc/basic_usage.md
diff --git a/doc/changes_v0.1.md b/doc/changes_v0.1.md
deleted file mode 100644
index b7d30d52..00000000
--- a/doc/changes_v0.1.md
+++ /dev/null
@@ -1,50 +0,0 @@
-## Major changes from `SPARC-X-API` [v0.1](https://github.com/SPARC-X/SPARC-X-API/tree/eac557f214b402122a506f88f38c7a8767283503)
-
-`SPARC-X-API` has been heavily refactored in v1.0. If you're using legacy Python codes
-that are written under v0.1 API, there are a few major changes that require your attention:
-
-1. Support for single `.ion` file format is deprecated. Instead, `v0.2` API treats the whole SPARC directory as a bundle format. Please use `read_sparc` and `write_sparc` methods for basic file I/O instead.
-Nevertheless, reading calculation results generated by a v0.1 API code will not be affected.
-
-2. v1.0 API uses a different mapping scheme for the sorting of ASE atoms objects (similar to `Vasp`), add a comment section in `.ion` file similar to follows:
-```python
-# ASE-SORT:
-# 3 2 1 0
-# END ASE-SORT
-```
-which maps atoms 3, 2, 1, 0 from the SPARC .ion file order to atoms 0, 1, 2, 3 in ASE order. This is useful for systems that are constructed by ASE's `add_adsorbate` method.
-
-3. v1.0 API accepts all SPARC internal parameters (i.e. **CAPITALIZED**) in *atomic units* for consistency reason.
-However, we also keep a list of "special input params" that are conventionally used in other ASE calculators, that use Å / eV / GPa / fs unit system.
-
-4. Defining `LATVEC`, `LATVEC_SCALE`, or `CELL` via the calculator parameters is no longer encouraged. Instead, all structure changes should be made to the `Atoms` object.
-
-For more discussion please see [Advanced Topic] section.
-
-Below are a list of v0.1 method of the `SPARC` calculator and their current status in v0.2 API.
-`calc` is an instance of `sparc.SPARC`.
-
-| old methods | status in v1.0 API | alternatives |
-|------------------------|--------------------|------------------------------------|
-| `interpret_grid_input` | deprecated | `calc.set(fd_grid=[20, 20, 20])` |
-| `interpret_kpoint_input` | deprecated | `calc.set(kpts=[3, 3, 3])` |
-| `interpret_downsampling_input` | deprecated | Manual setting not recommended |
-| `interpret_kpoint_shift` | deprecated | `calc.set(kpoint_shift=[0, 0, 0])` |
-| `get_pseudopotential_directory` | deprecated | `calc.psp_dir` |
-| `get_nstates` | maintained | |
-| `setup_parallel_env` | deprecated | Manual set |
-| `generate_command` | deprecated | `calc._make_command()` |
-| `estimate_memory` | maintained | |
-| `get_scf_steps` | maintained | |
-| `get_geometric_steps` | deprecated | `calc.get_number_of_ionic_steps()`|
-| `get_runtime` | maintained | |
-| `get_fermi_level` | maintained | |
-| `concatinate_output` | deprecated | Use `sparc.SparcBundle` instead |
-| `read_line` | deprecated | Use `sparc.SparcBundle` instead |
-| `parse_output` | deprecated | `calc.read_results()` |
-| `parse_relax` | deprecated | `calc.read_results()` |
-| `parse_md` | deprecated | `calc.read_results()` |
-| `parse_input_args` | deprecated | `calc.set(**kwargs)` |
-| `recover_index_order_from_ion_file` | deprecated | Use `calc.sort` and `calc.resort` |
-| `atoms_dict` | deprecated | Use third party library like `bson` |
-| `dict_atoms` | deprecated | Use third party library like `bson` |
diff --git a/docs/conf.py b/doc/conf.py
similarity index 100%
rename from docs/conf.py
rename to doc/conf.py
diff --git a/docs/contribute.md b/doc/contribute.md
similarity index 100%
rename from docs/contribute.md
rename to doc/contribute.md
diff --git a/doc/contribution_guideline.md b/doc/contribution_guideline.md
deleted file mode 100644
index 13a62d7e..00000000
--- a/doc/contribution_guideline.md
+++ /dev/null
@@ -1,102 +0,0 @@
-## Submitting issues and pull requests
-We welcome users of SPARC-X and SPARC-X-API to submit issues and pull requests via github.
-When reporting a bug, please make sure to include the following information:
-
-- `SPARC` version (if available. Should look like "Month Day, Year" in the `.out` file)
-- `SPARC-X-API` version or commit hash
-- Minimal example for reproducing the error
-- Error trace message
-
-## Notes for developers
-
-We recommend the following steps to setup the test environment and modify codes
-
-### Setting up environment
-
-Pip installation from github's master branch (or your own fork), and download
-a copy of the latest pseudopotential files.
-
-```python
-git clone https://github.com/SPARC-X/SPARC-X-API.git
-pip install -e "sparc-x-api[test]"
-python -m sparc.download_data
-```
-
-If you need to test running DFT using the API, compile or install the `sparc` executables following the [manual](https://github.com/SPARC-X/SPARC/blob/master/README.md).
-
-
-### Running tests
-
-All unit tests are based on `pytest` and inside `tests/` directory.
-To run all tests (no heavy DFT calculations):
-```python
-python -m pytest -svv tests/
-```
-
-If you are on a HPC environment, you can opt to run a comprehensive test suite with DFT calculations:
-```python
-python -m pytest -svv tests/test_all_dft.py
-```
-
-(*Draft, to be implemented later*)
-
-### Adding examples
-
-All examples are listed in `examples/` directory. Please add examples that are important
-for demonstrating the functionalities of `SPARC-X-API` while the calculations can be
-finished using moderate computating power (e.g. a few minutes with 4 CPU cores).
-
-The examples can have the name in the format `ex[Number]-[purpose].py`.
-
-### Code structure
-
-Below is a brief overview of the modules in `SPARC-X-API` with simple explanations
-```
-sparc
-├── __init__.py
-├── api.py # Includes SparcAPI class for parameter validation
-├── calculator.py # Interface to the SPARC DFT code
-├── cli.py # `sparc-ase` interface
-├── common.py # Definition of common directories
-├── docparser.py # Function and cli interface for parsing the SPARC DFT document
-├── download_data.py # Cli tool to download pseudopotential files
-├── io.py # Provides `SparcBundle` class, `read_sparc` and `write_sparc` functions
-├── quicktest.py # Cli tool for post-installation sanity check
-├── utils.py # Common utilities
-├── psp/ # Place-holder directory for pseudopotentials (used for `download_data.py`)
-├── sparc_json_api # Directory for maintaining the JSON API
-│ └── parameters.json
-├── sparc_parsers # Parsers for individual SPARC in-/output formats
-│ ├── __init__.py
-│ ├── aimd.py
-│ ├── atoms.py
-│ ├── geopt.py
-│ ├── inpt.py
-│ ├── ion.py
-│ ├── out.py
-│ ├── pseudopotential.py
-│ ├── static.py
-│ └── utils.py
-```
-
-### CI/CD by Github Actions
-
-The repo contains a few CI/CD pipelines based on Github Actions. You
-may need to take care of the settings if you're one of the
-maintainers. For normal code contributors, this section may be
-omitted.
-
-- Unit test
-
-The steps are described [here](.github/workflows/installation_test.yml).
-Please make sure to exclude any computationally-heavy tests from the step "Test with pytest".
-
-- Coverage
-
-The CI workflow contains a coverage report step based on the unit test
-and generates a [coverage
-badge](https://github.com/SPARC-X/SPARC-X-API/blob/badges/badges/coverage.svg)
-on the [`badges`
-branch](https://github.com/SPARC-X/SPARC-X-API/tree/badges).
-
-For repo maintainers, please make sure the `badges` branch is present and **do not merge to this branch**.
diff --git a/docs/examples.md b/doc/examples.md
similarity index 100%
rename from docs/examples.md
rename to doc/examples.md
diff --git a/doc/img/fig_sparc_api_overview.svg b/doc/img/fig_sparc_api_overview.svg
new file mode 100644
index 00000000..a502d76c
--- /dev/null
+++ b/doc/img/fig_sparc_api_overview.svg
@@ -0,0 +1,2319 @@
+
+
+
+
diff --git a/doc/index.md b/doc/index.md
index d5ae649d..4e3ce632 100644
--- a/doc/index.md
+++ b/doc/index.md
@@ -1,6 +1,33 @@
-# `SPARC-X-API`: A Python API for the Real-Space SPARC-X DFT Code
+```{include} ../README.md
+:language: md
+:relative-docs: docs/
+:relative-images:
+```
+
-The `SPARC-X-API` is a versatile Python API for the real-space density
-functional package SPARC (**S**imulation **P**ackage for **A**b-initio
-**R**eal-**S**pace **C**alculations) distributed under the GPLv3
-license.
+
+
+
+
+
+
+
+
+
+
+```{toctree}
+:maxdepth: 2
+:caption: Contents:
+introduction.md
+installation.md
+setup_environment.md
+basic_usage.md
+advanced_socket.md
+examples.md
+package_components.md
+advanced_topics.md
+api_changes.md
+troubleshooting.md
+contribute.md
+maintainers.md
+```
diff --git a/docs/installation.md b/doc/installation.md
similarity index 100%
rename from docs/installation.md
rename to doc/installation.md
diff --git a/docs/introduction.md b/doc/introduction.md
similarity index 100%
rename from docs/introduction.md
rename to doc/introduction.md
diff --git a/doc/maintainers.md b/doc/maintainers.md
new file mode 100644
index 00000000..41446f9c
--- /dev/null
+++ b/doc/maintainers.md
@@ -0,0 +1,37 @@
+# Documentation for Maintainers
+
+This part contains maintenance guidelines for SPARC-X-API core
+developers. For general guidelines regarding how to contribute to this
+project please refer to the [how to contribute](contribute.md) page.
+
+Most of the tasks in this documentation require `maintain` or `admin`
+role for the repository.
+
+## Github Settings
+### Github Branches
+
+There are multiple branches required for the CI/CD workflow in
+SPARC-X-API. Push / pull request to these branches should only be made by automatic github actions.
+
+- [`badges`](https://github.com/SPARC-X/SPARC-X-API/tree/badges):
+ branch for maintaining the svg badges (package version, CI status,
+ etc.)
+
+ A list of svg badges can be found under `badges/` directory of this
+ branch. See **TODO** for how to add / modify badges to be shown in
+ the README.
+
+- [`gh_pages`](https://github.com/SPARC-X/SPARC-X-API/tree/gh_pages):
+ branch to publish the documentation site.
+
+
+### Github Pages Settings
+
+To change how the documentation pages
+
+
+**TODO** only maintainers
+
+## Adding a New Badge in Readme
+
+##
diff --git a/docs/make.bat b/doc/make.bat
similarity index 100%
rename from docs/make.bat
rename to doc/make.bat
diff --git a/docs/package_components.md b/doc/package_components.md
similarity index 100%
rename from docs/package_components.md
rename to doc/package_components.md
diff --git a/docs/setup_environment.md b/doc/setup_environment.md
similarity index 100%
rename from docs/setup_environment.md
rename to doc/setup_environment.md
diff --git a/doc/troubleshooting.md b/doc/troubleshooting.md
index da0db72e..006115a3 100644
--- a/doc/troubleshooting.md
+++ b/doc/troubleshooting.md
@@ -1,3 +1,4 @@
+# Troubleshooting
### Known issues
*This is a list of known bugs with the current SPARC-X-API, remove them when PRs are contributed*
- [ ] `sparc-ase` command currently does not support multi-image yet
diff --git a/docs/advanced_topics.md b/docs/advanced_topics.md
deleted file mode 100644
index 03893f65..00000000
--- a/docs/advanced_topics.md
+++ /dev/null
@@ -1,134 +0,0 @@
-# Advanced Topics
-
-## Advanced Topics
-The design of `SPARC-X-API` is schematically shown in the following figure
-
-
-### Behind the bundle file format
-
-Instead of parsing individual `.ion` and `.inpt` files,
-the bundle format (recognized by ASE by `format="sparc"`) will
-gather information from all files and check if atomic information
-and calculation results can be retrieved.
-The central piece for handling the bundle format is
-`sparc.io.SpardBundle` class. You can use it to parse an existing bundle
-
-```python
-from sparc.io import SparcBundle
-bundle = SparcBundle("path/to/your-calc.sparc", mode="r")
-images = bundle.convert_to_ase(index=":")
-```
-
-or write an `Atoms` object to a bundle with a minimal set of `.ion` and `.inpt`
-files.
-
-```python
-from sparc.io import SparcBundle
-from ase.io import read
-atoms = read("some-externalfile.xyz")
-bundle = SparcBundle("path/to/your-calc.sparc", mode="w")
-bundle._write_ion_and_inpt(atoms, label="SPARC")
-```
-
-For each individual SPARC file (e.g. `.ion`, `.inpt`, `.static`, `.geopt`, `.aimd`),
-file-specific parsers are in `sparc.sparc_parsers.` files.
-Each `_read_` method will return the structured raw-data dictionary of the files.
-Similarly, `_write_` takes the structured dictionary as input and write the file
-using only relevant data.
-
-### Behind the JSON API
-
-The JSON API are directly parsed from the `SPARC` documentation [LaTeX files](https://github.com/SPARC-X/SPARC/tree/master/doc/.LaTeX).
-The JSON API file (`sparc/sparc_json_api/parameters.json`) distributed by `SPARC-X-API` is generated by:
-
-```bash
-git clone https://github.com/SPARC-X/SPARC.git
-python -m sparc.docparser SPARC/doc/.LaTeX
-```
-
-You can use `sparc.api.SparcAPI` together with the generated JSON API schema:
-1. Load the latest SPARC api
-```python
-from sparc.api import SparcAPI
-sis = SparcAPI()
-print(sis.sparc_version)
-```
-
-
-2. Check if a variable is available
-```python
-from sparc.api import SparcAPI
-sis = SparcAPI()
-# A typo will be detected (actual parameter is CALC_PRESS)
-assert "CALC_PRESSURE" not in sis.parameters
-```
-
-3. Convert string <--> valid value
-```python
-from sparc.api import SparcAPI
-sis = SparcAPI()
-latvec = sis.convert_string_to_value("LATVEC", "1.0 0 0\n 0 1.0 0\n 0 0 1.0")
-latvec_string = sis.convert_value_to_string("LATVEC", latvec)
-```
-
-4. Provide help info for a given parameter
-```python
-from sparc.api import SparcAPI
-sis = SparcAPI()
-```
-
-### Retriving parameters from old SPARC calculations
-
-`sparc.SPARC` calculator supports the `restart` mode which will reconstruct all
-parameters, psp files and atomic information from an existing SPARC calculation and
-rerun them.
-
-```python
-from sparc import SPARC
-calc = SPARC(restart=True, directory="old-calc.sparc")
-old_atoms = calc.atoms.copy()
-# Redo the calculation with updated parameters
-old_atoms.rattle()
-calc.set(h=0.2, directory="new-calc.sparc")
-old_atoms.calc = calc
-old_atoms.get_potential_energy()
-```
-
-
-
-### Rules for input parameters in `sparc.SPARC` calculator
-
-When constructing the `sparc.SPARC` calculator using the syntax
-```python
-calc = SPARC(directory="", **kwargs)
-```
-the parameters are handled in the following priority:
-1) Parameters available to `.inpt` files (i.e. **CAPITALIZED**) have highest priority and overwrite all special inputs. They should be set directly using the atomic unit values (i.e the same value as they appear in the `.inpt` files).
-2) Special inputs (i.e, `h`, `kpts`, `gpts`, `xc`, `convergence`) have second highest priority and overwrite default values. They are using the ASE unit system (i.e. Å, eV, GPa, fs).
-3) If none of the parameters are provided, `SPARC` uses its default parameter set, currently
-```python
-{"xc": "pbe", "h": 0.25, "kpts": (1, 1, 1)}
-```
-
-We accept parameters in both upper and lower cases, in other words, `FD_GRID=[10, 10, 10]` and `fd_grid=[10, 10, 10]` are equivalent.
-Additionally, boolean inputs (i.e. `PRINT_FORCES`) can be written in both integer or boolean values.
-
-
-### Multiple occurance of output files
-
-In a typical SPARC calculation, there may be multiple result files in the SPARC bundle, with different suffixes (e.g. `.out`, `.out_01`, `.out_02` etc.).
-These files can be a result of restarted geometry optimization / AIMD or written by an ASE optimizer.
-
-When using `read_sparc` to access the files, you can add `include_all_files=True` option to parse
-trajectories from all files.
-
-```python
-from sparc.io import read_sparc
-# Read all images from .static, .static_01, .static_02 etc.
-images = read_sparc("path/to/calc.sparc", index=":", include_all_files=True)
-
-# Read only from .static_02
-last_atoms = read_sparc("path/to/calc.sparc", include_all_files=False)
-```
-
-By default, `sparc.SPARC` calculator only access the last image of last output file when reading the calculation results.
diff --git a/docs/index.md b/docs/index.md
deleted file mode 100644
index 8469fc21..00000000
--- a/docs/index.md
+++ /dev/null
@@ -1,31 +0,0 @@
-```{include} ../README.md
-:language: md
-```
-
-
-
-
-
-
-
-
-
-
-
-
-```{toctree}
-:maxdepth: 2
-:caption: Contents:
-introduction.md
-installation.md
-setup_environment.md
-basic_usage.md
-advanced_socket.md
-examples.md
-package_components.md
-advanced_topics.md
-api_changes.md
-troubleshooting.md
-contribute.md
-maintainers.md
-```
diff --git a/docs/maintainers.md b/docs/maintainers.md
deleted file mode 100644
index 7306015c..00000000
--- a/docs/maintainers.md
+++ /dev/null
@@ -1 +0,0 @@
-# Documentation for Maintainers
diff --git a/docs/troubleshooting.md b/docs/troubleshooting.md
deleted file mode 100644
index 006115a3..00000000
--- a/docs/troubleshooting.md
+++ /dev/null
@@ -1,6 +0,0 @@
-# Troubleshooting
-### Known issues
-*This is a list of known bugs with the current SPARC-X-API, remove them when PRs are contributed*
-- [ ] `sparc-ase` command currently does not support multi-image yet
-- [ ] `SPARC` calculator may occasionally require more DFT steps than needed during optimization
-- [ ] Raw result parsing from SPARC files may need to be re-factored in a generator form