Updated links from coltonbh to atomsforhumanity.

README.md

@@ -3,20 +3,22 @@
 [![image](https://img.shields.io/pypi/v/qcdata.svg)](https://pypi.python.org/pypi/qcdata)
 [![image](https://img.shields.io/pypi/l/qcdata.svg)](https://pypi.python.org/pypi/qcdata)
 [![image](https://img.shields.io/pypi/pyversions/qcdata.svg)](https://pypi.python.org/pypi/qcdata)
-[![Actions status](https://github.com/coltonbh/qcdata/workflows/Tests/badge.svg)](https://github.com/coltonbh/qcdata/actions)
-[![Actions status](https://github.com/coltonbh/qcdata/workflows/Basic%20Code%20Quality/badge.svg)](https://github.com/coltonbh/qcdata/actions)
+[![Actions status](https://github.com/atomsforhumanity/qcdata/workflows/Tests/badge.svg)](https://github.com/atomsforhumanity/qcdata/actions)
+[![Actions status](https://github.com/atomsforhumanity/qcdata/workflows/Basic%20Code%20Quality/badge.svg)](https://github.com/atomsforhumanity/qcdata/actions)
 
 Elegant and intuitive data structures for quantum chemistry, featuring seamless Jupyter Notebook visualizations.
 
 `qcdata` works in harmony with a suite of other quantum chemistry tools for fast, structured, and interoperable quantum chemistry.
 
 ## The QC Suite of Programs
 
-- [qcconst](https://github.com/coltonbh/qcconst) - NIST/CODATA2022 core physical constants, conversion factors, and a periodic table with clear source information for every value.
-- [qcdata](https://github.com/coltonbh/qcdata) - Elegant and intuitive data structures for quantum chemistry, featuring seamless Jupyter Notebook visualizations. [Documentation](https://qcdata.coltonhicks.com)
- [qcinf](https://github.com/coltonbh/qcinf) - Cheminformatics algorithms and structure utilities such as `rmsd`, and alignment, using standardized [qcdata](https://qcdata.coltonhicks.com/) data structures.
-- [qccodec](https://github.com/coltonbh/qccodec) - A translation layer between quantum chemistry program inputs and outputs and structured `qcdata` objects.
-- [qcop](https://github.com/coltonbh/qcop) - A package for operating quantum chemistry programs using `qcdata` standardized data structures. Compatible with `TeraChem`, `psi4`, `QChem`, `NWChem`, `ORCA`, `Molpro`, `geomeTRIC` and many more.
+The QC Suite works in harmony to provide fast, structured, and interoperable quantum chemistry tools.
+
+- [qcconst](https://github.com/atomsforhumanity/qcconst) - Physical constants, conversion factors, and a periodic table with clear source information for every value.
+- [qcdata](https://github.com/atomsforhumanity/qcdata) - Elegant and intuitive data structures for quantum chemistry, featuring seamless Jupyter Notebook visualizations. [Documentation](https://qcdata.docs.atomsforhumanity.org)
+- [qcinf](https://github.com/atomsforhumanity/qcinf) - Cheminformatics algorithms and structure utilities using standardized [qcdata](https://qcdata.docs.atomsforhumanity.org/) data structures.
+- [qccodec](https://github.com/atomsforhumanity/qccodec) - A package for translating between standardized [qcdata](https://github.com/atomsforhumanity/qcdata) data structures and native QC program inputs and outputs.
+- [qccompute](https://github.com/atomsforhumanity/qccompute) - A package for operating quantum chemistry programs using standardized [qcdata](https://qcdata.docs.atomsforhumanity.org/) data structures. Compatible with `TeraChem`, `psi4`, `QChem`, `NWChem`, `ORCA`, `Molpro`, `geomeTRIC` and many more.
 - [BigChem](https://github.com/mtzgroup/bigchem) - A distributed application for running quantum chemistry calculations at scale across clusters of computers or the cloud. Bring multi-node scaling to your favorite quantum chemistry program.
 - `ChemCloud` - A [web application](https://github.com/mtzgroup/chemcloud-server) and associated [Python client](https://github.com/mtzgroup/chemcloud-client) for exposing a BigChem cluster securely over the internet.
 
@@ -192,4 +194,4 @@ uv sync --all-groups
 
 ## Support
 
-If you have any issues with `qcdata` or would like to request a feature, please open an [issue](https://github.com/coltonbh/qcdata/issues).
+If you have any issues with `qcdata` or would like to request a feature, please open an [issue](https://github.com/atomsforhumanity/qcdata/issues).

docs/CNAME

@@ -1 +1 @@
-qcdata.coltonhicks.com
+qcdata.docs.atomsforhumanity.org

docs/api/inputs.md

@@ -4,7 +4,7 @@ A `DualProgramInput` is used when two inputs are required for a calculation. For
 
 `ProgramInput.structure` is always the primary/start/reference structure for the calculation. Calculations that require additional complete structures can provide them by role name with `ProgramInput.structures`, for example `structures={"product": product_structure}` for a nudged elastic band calculation where `structure` is the reactant endpoint. Calculation-specific tools should validate which structure names are required.
 
-A `FileInput` is an escape hatch that allows you to run _any_ calculation in any QC program (or any program for that matter), even if it isn't a supported [`CalcType`](./calctype.md) in `qcdata` yet. You can use a `FileInput` to store the native input files (text and binary) for a QC program along with the relevant command line args. Using [qcop](https://github.com/coltonbh/qcop) you can submit a `FileInput` to a QC program and all output files and `logs` produced by that program will be collected and returned in a user-friendly [`ProgramOutput`](./outputs.md) object. `FileInput` allows you to continue to use `qcdata` even for calculations that haven't yet been standardized.
+A `FileInput` is an escape hatch that allows you to run _any_ calculation in any QC program (or any program for that matter), even if it isn't a supported [`CalcType`](./calctype.md) in `qcdata` yet. You can use a `FileInput` to store the native input files (text and binary) for a QC program along with the relevant command line args. Using [qcop](https://github.com/atomsforhumanity/qccompute) you can submit a `FileInput` to a QC program and all output files and `logs` produced by that program will be collected and returned in a user-friendly [`ProgramOutput`](./outputs.md) object. `FileInput` allows you to continue to use `qcdata` even for calculations that haven't yet been standardized.
 
 
 ::: qcdata.Inputs

docs/index.md

@@ -3,19 +3,19 @@
 [![image](https://img.shields.io/pypi/v/qcdata.svg)](https://pypi.python.org/pypi/qcdata)
 [![image](https://img.shields.io/pypi/l/qcdata.svg)](https://pypi.python.org/pypi/qcdata)
 [![image](https://img.shields.io/pypi/pyversions/qcdata.svg)](https://pypi.python.org/pypi/qcdata)
-[![Actions status](https://github.com/coltonbh/qcdata/workflows/Tests/badge.svg)](https://github.com/coltonbh/qcdata/actions)
-[![Actions status](https://github.com/coltonbh/qcdata/workflows/Basic%20Code%20Quality/badge.svg)](https://github.com/coltonbh/qcdata/actions)
+[![Actions status](https://github.com/atomsforhumanity/qcdata/workflows/Tests/badge.svg)](https://github.com/atomsforhumanity/qcdata/actions)
+[![Actions status](https://github.com/atomsforhumanity/qcdata/workflows/Basic%20Code%20Quality/badge.svg)](https://github.com/atomsforhumanity/qcdata/actions)
 
 Elegant and intuitive data structures for quantum chemistry, featuring seamless Jupyter Notebook visualizations.
 
 `qcdata` works in harmony with a suite of other quantum chemistry tools for fast, structured, and interoperable quantum chemistry.
 
 ## The QC Suite of Programs
 
-- [qcconst](https://github.com/coltonbh/qcconst) - NIST/CODATA2022 core physical constants, conversion factors, and a periodic table with clear source information for every value.
-- [qcdata](https://github.com/coltonbh/qcdata) - Elegant and intuitive data structures for quantum chemistry, featuring seamless Jupyter Notebook visualizations. [Documentation](https://qcdata.coltonhicks.com)
-- [qccodec](https://github.com/coltonbh/qccodec) - A translation layer between quantum chemistry program inputs and outputs and structured `qcdata` objects.
-- [qcop](https://github.com/coltonbh/qcop) - A package for operating quantum chemistry programs using `qcdata` standardized data structures. Compatible with `TeraChem`, `psi4`, `QChem`, `NWChem`, `ORCA`, `Molpro`, `geomeTRIC` and many more.
+- [qcconst](https://github.com/atomsforhumanity/qcconst) - NIST/CODATA2022 core physical constants, conversion factors, and a periodic table with clear source information for every value.
+- [qcdata](https://github.com/atomsforhumanity/qcdata) - Elegant and intuitive data structures for quantum chemistry, featuring seamless Jupyter Notebook visualizations. [Documentation](https://qcdata.docs.atomsforhumanity.org)
+- [qccodec](https://github.com/atomsforhumanity/qccodec) - A translation layer between quantum chemistry program inputs and outputs and structured `qcdata` objects.
+- [qcop](https://github.com/atomsforhumanity/qccompute) - A package for operating quantum chemistry programs using `qcdata` standardized data structures. Compatible with `TeraChem`, `psi4`, `QChem`, `NWChem`, `ORCA`, `Molpro`, `geomeTRIC` and many more.
 - [BigChem](https://github.com/mtzgroup/bigchem) - A distributed application for running quantum chemistry calculations at scale across clusters of computers or the cloud. Bring multi-node scaling to your favorite quantum chemistry program.
 - `ChemCloud` - A [web application](https://github.com/mtzgroup/chemcloud-server) and associated [Python client](https://github.com/mtzgroup/chemcloud-client) for exposing a BigChem cluster securely over the internet.
 

docs/why.md

@@ -2,9 +2,9 @@
 
 Other data structure package for quantum chemistry exist such as [QCElemental](https://github.com/MolSSI/QCElemental) and [Atomic Simulation Environment](https://wiki.fysik.dtu.dk/ase/index.html). I often found these libraries were too heavy weight or too feature poor for most of what I needed. I also found their APIs to be somewhat unintuitive and often cumbersome to use. `qcdata` is designed to be easy to use, easy to reason about, and provide a unified format for diverse quantum chemistry calculations.
 
-`qcdata` is also the central package used by [`qcop`](https://github.com/coltonbh/qcop) to power interoperable quantum chemistry calculations across dozens of packages and [`bigchem`](https://github.com/mtzgroup/bigchem), which scales QC calculations across hundreds of nodes on academic clusters or the cloud. I needed robust and reliable data structures for powering these applications. `qcdata` is the result of thousands of hours of organizing quantum chemistry data into coherent data structures.
+`qcdata` is also the central package used by [`qcop`](https://github.com/atomsforhumanity/qccompute) to power interoperable quantum chemistry calculations across dozens of packages and [`bigchem`](https://github.com/mtzgroup/bigchem), which scales QC calculations across hundreds of nodes on academic clusters or the cloud. I needed robust and reliable data structures for powering these applications. `qcdata` is the result of thousands of hours of organizing quantum chemistry data into coherent data structures.
 
-It is my hope that you'll find `qcdata` to be intuitive and delightful to use. If you have any questions please open an [issue](https://github.com/coltonbh/qcdata/issues) on GitHub. Pull requests welcome :)
+It is my hope that you'll find `qcdata` to be intuitive and delightful to use. If you have any questions please open an [issue](https://github.com/atomsforhumanity/qcdata/issues) on GitHub. Pull requests welcome :)
 
 ## Getting Started
 

mkdocs.yml

@@ -1,5 +1,5 @@
 site_name: Quantum Chemistry Data (qcdata)
-site_url: https://qcdata.coltonhicks.com/
+site_url: https://qcdata.docs.atomsforhumanity.org/
 theme:
   name: material
   palette:
@@ -37,7 +37,7 @@ theme:
   icon:
     repo: fontawesome/brands/github-alt
 
-repo_url: https://github.com/coltonbh/qcdata
+repo_url: https://github.com/atomsforhumanity/qcdata
 edit_uri: edit/master/docs/
 site_author: Colton Hicks
 plugins:
@@ -122,4 +122,4 @@ nav:
       - Structure: visualizations/structure.ipynb
       - Results: visualizations/results.ipynb
       - Core Views: visualizations/coreviews.ipynb
-  - Changelog: https://github.com/coltonbh/qcdata/blob/master/CHANGELOG.md
+  - Changelog: https://github.com/atomsforhumanity/qcdata/blob/master/CHANGELOG.md

pyproject.toml

@@ -31,12 +31,12 @@ classifiers = [
     "Topic :: Software Development :: Libraries",
 ]
 [project.urls]
-Homepage = "https://github.com/coltonbh/qcdata"
-Documentation = "https://qcdata.coltonhicks.com"
-Source = "https://github.com/coltonbh/qcdata"
-Changelog = "https://github.com/coltonbh/qcdata/blob/master/CHANGELOG.md"
-"Bug Tracker" = "https://github.com/coltonbh/qcdata/issues"
-repository = "https://github.com/coltonbh/qcdata"
+Homepage = "https://github.com/atomsforhumanity/qcdata"
+Documentation = "https://qcdata.docs.atomsforhumanity.org"
+Source = "https://github.com/atomsforhumanity/qcdata"
+Changelog = "https://github.com/atomsforhumanity/qcdata/blob/master/CHANGELOG.md"
+"Bug Tracker" = "https://github.com/atomsforhumanity/qcdata/issues"
+repository = "https://github.com/atomsforhumanity/qcdata"
 
 
 [project.optional-dependencies]