| Name | qcconst JSON |
| Version |
0.1.0
JSON |
| download |
| home_page | None |
| Summary | Physical constants, conversion factors, and a periodic table with clear source information for every value. |
| upload_time | 2025-03-22 00:36:31 |
| maintainer | None |
| docs_url | None |
| author | None |
| requires_python | >=3.9 |
| license | The MIT License (MIT) Copyright (c) 2025 Colton Hicks Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE. |
| keywords |
chemistry
constants
conversion factors
periodic table
physics
scientific computing
|
| VCS |
 |
| bugtrack_url |
|
| requirements |
No requirements were recorded.
|
| Travis-CI |
No Travis.
|
| coveralls test coverage |
No coveralls.
|
# QCConst
[](https://pypi.python.org/pypi/qcconst)
[](https://pypi.python.org/pypi/qcconst)
[](https://pypi.python.org/pypi/qcconst)
[](https://github.com/coltonbh/qcconst/actions)
[](https://github.com/coltonbh/qcconst/actions)
Physical constants, conversion factors, and a periodic table with clear source information for every value. Data from NIST CODATA 2022, Pubchem, and Washington University.
## Data Sources
Each piece of data contains a link to its source. Primary data sources include:
| Data Name | Source | Source Links |
| -------------------- | ------------------------ | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
| `Physical Constants` | NIST 2022 CODATA | [Individual Constant Lookup](http://physics.nist.gov/constants), [Fundamenal Constants Listing](https://physics.nist.gov/cuu/Constants/Table/allascii.txt), [Conversion Factors](https://www.nist.gov/pml/special-publication-811/nist-guide-si-appendix-b-conversion-factors/nist-guide-si-appendix-b8) |
| `Periodic Table` | PubChem | [Periodic Table](https://pubchem.ncbi.nlm.nih.gov/periodic-table/), [Raw CSV Data](https://pubchem.ncbi.nlm.nih.gov/rest/pug/periodictable/CSV?response_type=save&response_basename=PubChemElements_all) |
| `Solvent Data` | University of Washington | [Solvent Properties](https://depts.washington.edu/eooptic/linkfiles/dielectric_chart%5B1%5D.pdf) |
## Installation
```sh
pip install qcconst
```
## Quickstart
### Constants
```python
>>> from qcconst import constants
>>> constants.BOHR_TO_ANGSTROM
0.529177210544, unit=Å, source=https://physics.nist.gov/cgi-bin/cuu/Value?bohrrada0
# Use constants just like a float
>>> constants.BOHR_TO_ANGSTROM * 10
5.29177210544
# Know the source of every constant
>>> constants.BOHR_TO_ANGSTROM.source
'https://physics.nist.gov/cgi-bin/cuu/Value?bohrrada0'
# See sources for all constants
>>> constants.sources
['https://physics.nist.gov/cgi-bin/cuu/Value?bohrrada0', 'https://physics.nist.gov/cgi-bin/cuu/Value?hrj|search_for=hartree+to+joule', 'https://physics.nist.gov/cuu/Constants/Table/allascii.txt', 'https://www.nist.gov/pml/special-publication-811/nist-guide-si-appendix-b-conversion-factors/nist-guide-si-appendix-b8']
# List all available constants
>>> constants.as_list()
['ANGSTROM_TO_BOHR', 'AVOGADRO_NUMBER', 'BOHR_TO_ANGSTROM', 'BOLTZMANN_CONSTANT', 'HARTREE_TO_JOULE', 'HARTREE_TO_KCAL_PER_MOL', 'KCAL_TO_JOULE', ...]
# Human readable print out of all available constants
>>> constants.show()
name value unit source
----------------------- -------------- -------- ---------------------------------------------------------
ANGSTROM_TO_BOHR 1.88973 Bohr Derived as 1 / BOHR_TO_ANGSTROM
AVOGADRO_NUMBER 6.02214e+23 mol⁻¹ https://physics.nist.gov/cuu/Constants/Table/allascii.txt
BOHR_TO_ANGSTROM 0.529177 Å https://physics.nist.gov/cgi-bin/cuu/Value?bohrrada0
BOLTZMANN_CONSTANT 1.38065e-23 J/K https://physics.nist.gov/cuu/Constants/Table/allascii.txt
...
```
### Periodic Table
```python
>>> from qcconst import periodic_table as pt
>>> pt.Ni
Atom(symbol='Ni', number=28, name='Nickel', mass=58.6934, group=10, period=4, block='d', electron_config='[Ar] 3d8 4s2')
>>>pt.Ni.number
28
>>> pt.group(1)
[Atom(symbol='H', number=1, name='Hydrogen', mass=1.00784, group=1, period=1, block='s', electron_config='1s1'),
Atom(symbol='Li', number=3, name='Lithium', mass=6.94, group=1, period=2, block='s', electron_config='[He] 2s1'),
Atom(symbol='Na', number=11, name='Sodium', mass=22.98976928, group=1, period=3, block='s', electron_config='[Ne] 3s1'),
Atom(symbol='K', number=19, name='Potassium', mass=39.0983, group=1, period=4, block='s', electron_config='[Ar] 4s1'),
Atom(symbol='Rb', number=37, name='Rubidium', mass=85.4678, group=1, period=5, block='s', electron_config='[Kr] 5s1'),
Atom(symbol='Cs', number=55, name='Cesium', mass=132.90545196, group=1, period=6, block='s', electron_config='[Xe] 6s1'),
Atom(symbol='Fr', number=87, name='Francium', mass=223.0, group=1, period=7, block='s', electron_config='[Rn] 7s1')]
>>> pt.period(3)
[Atom(symbol='Na', number=11, name='Sodium', mass=22.9897693, group=1, period=3, block='Alkali metal', electron_config='[Ne]3s1'),
Atom(symbol='Mg', number=12, name='Magnesium', mass=24.305, group=2, period=3, block='Alkaline earth metal', electron_config='[Ne]3s2'),
Atom(symbol='Al', number=13, name='Aluminum', mass=26.981538, group=13, period=3, block='Post-transition metal', electron_config='[Ne]3s2 3p1'),
Atom(symbol='Si', number=14, name='Silicon', mass=28.085, group=14, period=3, block='Metalloid', electron_config='[Ne]3s2 3p2'),
Atom(symbol='P', number=15, name='Phosphorus', mass=30.973762, group=15, period=3, block='Nonmetal', electron_config='[Ne]3s2 3p3'),
Atom(symbol='S', number=16, name='Sulfur', mass=32.07, group=16, period=3, block='Nonmetal', electron_config='[Ne]3s2 3p4'),
Atom(symbol='Cl', number=17, name='Chlorine', mass=35.45, group=17, period=3, block='Halogen', electron_config='[Ne]3s2 3p5'),
Atom(symbol='Ar', number=18, name='Argon', mass=39.9, group=18, period=3, block='Noble gas', electron_config='[Ne]3s2 3p6')]
# Know the sources of the data
>>> pt.sources
['https://pubchem.ncbi.nlm.nih.gov/periodic-table']
# Human readable print out of the Periodic Table data
>>> pt.show()
Sources: https://pubchem.ncbi.nlm.nih.gov/periodic-table, https://pubchem.ncbi.nlm.nih.gov/rest/pug/periodictable/CSV?response_type=save&response_basename=PubChemElements_all
symbol number name mass group period block electron_config
-------- -------- ------------- --------- ------- -------- --------------------- ---------------------------------
H 1 Hydrogen 1.008 1 1 Nonmetal 1s1
He 2 Helium 4.0026 18 1 Noble gas 1s2
Li 3 Lithium 7 1 2 Alkali metal [He]2s1
Be 4 Beryllium 9.01218 2 2 Alkaline earth metal [He]2s2
B 5 Boron 10.81 13 2 Metalloid [He]2s2 2p1
C 6 Carbon 12.011 14 2 Nonmetal [He]2s2 2p2
N 7 Nitrogen 14.007 15 2 Nonmetal [He] 2s2 2p3
...
```
### Solvents
Solvents are accessed with a dictionary lookup rather than attribute lookup because many of their names are invalid Python attributes (i.e., they start with a number or contain `-` characters). For example, `solvents.1,2-dimethoxyethane` is invalid syntax. As a result, solvents are looked up using `solvents['name']` rather than `solvents.name`.
```python
from qcconst import solvents
>>> solvents["1,4-dioxane"]
Solvent(name='1,4-dioxane', dielectric=2.25, sources=['https://depts.washington.edu/eooptic/linkfiles/dielectric_chart%5B1%5D.pdf'])
>>> solvents["1,4-dioxane"].dielectric
2.25
# Will return None if solvent not found
>>> solvents.get("Fake Solvent")
>>>
# List all available solvents
>>> solvents.as_list()
['acetic acid', 'acetone', 'acetonitrile', 'anisole', 'benzene', 'bromobenzene', 'carbon disulfide', 'carbon tetrachloride', 'chlorobenzene', 'chloroform', 'cyclohexane', 'dibutyl ether', 'o-dichlorobenzene', '1,2-dichloroethane', 'dichloromethane', 'diethylamine', 'diethyl ether', '1,2-dimethoxyethane', 'n', 'n,n-dimethylformamide', 'dimethyl sulfoxide', '1,4-dioxane', 'ethanol', 'ethyl acetate', 'ethyl benzoate', 'formamide', 'hexamethylphosphoramide', 'isopropyl alcohol', 'methanol', '2-methyl-2-propanol', 'nitrobenzene', 'nitromethane', 'pyridine', 'tetrahydrofuran', 'toluene', 'trichloroethylene', 'triethylamine', 'trifluoroacetic acid', '2,2,2-trifluoroethanol', 'water', 'o-xylene', ...]
# Know the sources of the data
>>> solvents["water"].sources
['https://depts.washington.edu/eooptic/linkfiles/dielectric_chart%5B1%5D.pdf']
# Human readable print out of all available solvents
>>> solvents.show()
name dielectric sources
----------------------- ------------ ------------------------------------------------------------------------------
acetic acid 6.15 ['https://depts.washington.edu/eooptic/linkfiles/dielectric_chart%5B1%5D.pdf']
acetone 20.7 ['https://depts.washington.edu/eooptic/linkfiles/dielectric_chart%5B1%5D.pdf']
acetonitrile 37.5 ['https://depts.washington.edu/eooptic/linkfiles/dielectric_chart%5B1%5D.pdf']
anisole 4.33 ['https://depts.washington.edu/eooptic/linkfiles/dielectric_chart%5B1%5D.pdf']
benzene 2.27 ['https://depts.washington.edu/eooptic/linkfiles/dielectric_chart%5B1%5D.pdf']
bromobenzene 5.17 ['https://depts.washington.edu/eooptic/linkfiles/dielectric_chart%5B1%5D.pdf']
...
```
## Adding New Values
Adding new values is simple! Just add it to one of the `.csv` files in [src/qcconst/data](https://github.com/coltonbh/qcconst/tree/master/src/qcconst/data). Include the value, its source, and any other required metadata and then open a PR. That's it! ✨
## The QC Suite of Programs
If you like `qcconst` you may like my other libraries for computational chemistry.
- [qcio](https://github.com/coltonbh/qcio) - Elegant and intuitive data structures for quantum chemistry, featuring seamless Jupyter Notebook visualizations. [Documentation](https://qcio.coltonhicks.com)
- [qcparse](https://github.com/coltonbh/qcparse) - A library for efficient parsing of quantum chemistry data into structured `qcio` objects.
- [qcop](https://github.com/coltonbh/qcop) - A package for operating quantum chemistry programs using `qcio` 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.
Raw data
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"keywords": "chemistry, constants, conversion factors, periodic table, physics, scientific computing",
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"description": "# QCConst\n\n[](https://pypi.python.org/pypi/qcconst)\n[](https://pypi.python.org/pypi/qcconst)\n[](https://pypi.python.org/pypi/qcconst)\n[](https://github.com/coltonbh/qcconst/actions)\n[](https://github.com/coltonbh/qcconst/actions)\n\nPhysical constants, conversion factors, and a periodic table with clear source information for every value. Data from NIST CODATA 2022, Pubchem, and Washington University.\n\n## Data Sources\n\nEach piece of data contains a link to its source. Primary data sources include:\n| Data Name | Source | Source Links |\n| -------------------- | ------------------------ | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |\n| `Physical Constants` | NIST 2022 CODATA | [Individual Constant Lookup](http://physics.nist.gov/constants), [Fundamenal Constants Listing](https://physics.nist.gov/cuu/Constants/Table/allascii.txt), [Conversion Factors](https://www.nist.gov/pml/special-publication-811/nist-guide-si-appendix-b-conversion-factors/nist-guide-si-appendix-b8) |\n| `Periodic Table` | PubChem | [Periodic Table](https://pubchem.ncbi.nlm.nih.gov/periodic-table/), [Raw CSV Data](https://pubchem.ncbi.nlm.nih.gov/rest/pug/periodictable/CSV?response_type=save&response_basename=PubChemElements_all) |\n| `Solvent Data` | University of Washington | [Solvent Properties](https://depts.washington.edu/eooptic/linkfiles/dielectric_chart%5B1%5D.pdf) |\n\n## Installation\n\n```sh\npip install qcconst\n```\n\n## Quickstart\n\n### Constants\n\n```python\n>>> from qcconst import constants\n\n>>> constants.BOHR_TO_ANGSTROM\n0.529177210544, unit=\u00c5, source=https://physics.nist.gov/cgi-bin/cuu/Value?bohrrada0\n\n# Use constants just like a float\n>>> constants.BOHR_TO_ANGSTROM * 10\n5.29177210544\n\n# Know the source of every constant\n>>> constants.BOHR_TO_ANGSTROM.source\n'https://physics.nist.gov/cgi-bin/cuu/Value?bohrrada0'\n\n# See sources for all constants\n>>> constants.sources\n['https://physics.nist.gov/cgi-bin/cuu/Value?bohrrada0', 'https://physics.nist.gov/cgi-bin/cuu/Value?hrj|search_for=hartree+to+joule', 'https://physics.nist.gov/cuu/Constants/Table/allascii.txt', 'https://www.nist.gov/pml/special-publication-811/nist-guide-si-appendix-b-conversion-factors/nist-guide-si-appendix-b8']\n\n# List all available constants\n>>> constants.as_list()\n['ANGSTROM_TO_BOHR', 'AVOGADRO_NUMBER', 'BOHR_TO_ANGSTROM', 'BOLTZMANN_CONSTANT', 'HARTREE_TO_JOULE', 'HARTREE_TO_KCAL_PER_MOL', 'KCAL_TO_JOULE', ...]\n\n# Human readable print out of all available constants\n>>> constants.show()\nname value unit source\n----------------------- -------------- -------- ---------------------------------------------------------\nANGSTROM_TO_BOHR 1.88973 Bohr Derived as 1 / BOHR_TO_ANGSTROM\nAVOGADRO_NUMBER 6.02214e+23 mol\u207b\u00b9 https://physics.nist.gov/cuu/Constants/Table/allascii.txt\nBOHR_TO_ANGSTROM 0.529177 \u00c5 https://physics.nist.gov/cgi-bin/cuu/Value?bohrrada0\nBOLTZMANN_CONSTANT 1.38065e-23 J/K https://physics.nist.gov/cuu/Constants/Table/allascii.txt\n...\n```\n\n### Periodic Table\n\n```python\n>>> from qcconst import periodic_table as pt\n\n>>> pt.Ni\nAtom(symbol='Ni', number=28, name='Nickel', mass=58.6934, group=10, period=4, block='d', electron_config='[Ar] 3d8 4s2')\n\n>>>pt.Ni.number\n28\n\n>>> pt.group(1)\n[Atom(symbol='H', number=1, name='Hydrogen', mass=1.00784, group=1, period=1, block='s', electron_config='1s1'),\nAtom(symbol='Li', number=3, name='Lithium', mass=6.94, group=1, period=2, block='s', electron_config='[He] 2s1'),\nAtom(symbol='Na', number=11, name='Sodium', mass=22.98976928, group=1, period=3, block='s', electron_config='[Ne] 3s1'),\nAtom(symbol='K', number=19, name='Potassium', mass=39.0983, group=1, period=4, block='s', electron_config='[Ar] 4s1'),\nAtom(symbol='Rb', number=37, name='Rubidium', mass=85.4678, group=1, period=5, block='s', electron_config='[Kr] 5s1'),\nAtom(symbol='Cs', number=55, name='Cesium', mass=132.90545196, group=1, period=6, block='s', electron_config='[Xe] 6s1'),\nAtom(symbol='Fr', number=87, name='Francium', mass=223.0, group=1, period=7, block='s', electron_config='[Rn] 7s1')]\n\n>>> pt.period(3)\n[Atom(symbol='Na', number=11, name='Sodium', mass=22.9897693, group=1, period=3, block='Alkali metal', electron_config='[Ne]3s1'),\nAtom(symbol='Mg', number=12, name='Magnesium', mass=24.305, group=2, period=3, block='Alkaline earth metal', electron_config='[Ne]3s2'),\nAtom(symbol='Al', number=13, name='Aluminum', mass=26.981538, group=13, period=3, block='Post-transition metal', electron_config='[Ne]3s2 3p1'),\nAtom(symbol='Si', number=14, name='Silicon', mass=28.085, group=14, period=3, block='Metalloid', electron_config='[Ne]3s2 3p2'),\nAtom(symbol='P', number=15, name='Phosphorus', mass=30.973762, group=15, period=3, block='Nonmetal', electron_config='[Ne]3s2 3p3'),\nAtom(symbol='S', number=16, name='Sulfur', mass=32.07, group=16, period=3, block='Nonmetal', electron_config='[Ne]3s2 3p4'),\nAtom(symbol='Cl', number=17, name='Chlorine', mass=35.45, group=17, period=3, block='Halogen', electron_config='[Ne]3s2 3p5'),\nAtom(symbol='Ar', number=18, name='Argon', mass=39.9, group=18, period=3, block='Noble gas', electron_config='[Ne]3s2 3p6')]\n\n# Know the sources of the data\n>>> pt.sources\n['https://pubchem.ncbi.nlm.nih.gov/periodic-table']\n\n# Human readable print out of the Periodic Table data\n>>> pt.show()\nSources: https://pubchem.ncbi.nlm.nih.gov/periodic-table, https://pubchem.ncbi.nlm.nih.gov/rest/pug/periodictable/CSV?response_type=save&response_basename=PubChemElements_all\n\nsymbol number name mass group period block electron_config\n-------- -------- ------------- --------- ------- -------- --------------------- ---------------------------------\nH 1 Hydrogen 1.008 1 1 Nonmetal 1s1\nHe 2 Helium 4.0026 18 1 Noble gas 1s2\nLi 3 Lithium 7 1 2 Alkali metal [He]2s1\nBe 4 Beryllium 9.01218 2 2 Alkaline earth metal [He]2s2\nB 5 Boron 10.81 13 2 Metalloid [He]2s2 2p1\nC 6 Carbon 12.011 14 2 Nonmetal [He]2s2 2p2\nN 7 Nitrogen 14.007 15 2 Nonmetal [He] 2s2 2p3\n...\n```\n\n### Solvents\n\nSolvents are accessed with a dictionary lookup rather than attribute lookup because many of their names are invalid Python attributes (i.e., they start with a number or contain `-` characters). For example, `solvents.1,2-dimethoxyethane` is invalid syntax. As a result, solvents are looked up using `solvents['name']` rather than `solvents.name`.\n\n```python\nfrom qcconst import solvents\n\n>>> solvents[\"1,4-dioxane\"]\nSolvent(name='1,4-dioxane', dielectric=2.25, sources=['https://depts.washington.edu/eooptic/linkfiles/dielectric_chart%5B1%5D.pdf'])\n\n>>> solvents[\"1,4-dioxane\"].dielectric\n2.25\n\n# Will return None if solvent not found\n>>> solvents.get(\"Fake Solvent\")\n>>>\n\n# List all available solvents\n>>> solvents.as_list()\n['acetic acid', 'acetone', 'acetonitrile', 'anisole', 'benzene', 'bromobenzene', 'carbon disulfide', 'carbon tetrachloride', 'chlorobenzene', 'chloroform', 'cyclohexane', 'dibutyl ether', 'o-dichlorobenzene', '1,2-dichloroethane', 'dichloromethane', 'diethylamine', 'diethyl ether', '1,2-dimethoxyethane', 'n', 'n,n-dimethylformamide', 'dimethyl sulfoxide', '1,4-dioxane', 'ethanol', 'ethyl acetate', 'ethyl benzoate', 'formamide', 'hexamethylphosphoramide', 'isopropyl alcohol', 'methanol', '2-methyl-2-propanol', 'nitrobenzene', 'nitromethane', 'pyridine', 'tetrahydrofuran', 'toluene', 'trichloroethylene', 'triethylamine', 'trifluoroacetic acid', '2,2,2-trifluoroethanol', 'water', 'o-xylene', ...]\n\n# Know the sources of the data\n>>> solvents[\"water\"].sources\n['https://depts.washington.edu/eooptic/linkfiles/dielectric_chart%5B1%5D.pdf']\n\n# Human readable print out of all available solvents\n>>> solvents.show()\nname dielectric sources\n----------------------- ------------ ------------------------------------------------------------------------------\nacetic acid 6.15 ['https://depts.washington.edu/eooptic/linkfiles/dielectric_chart%5B1%5D.pdf']\nacetone 20.7 ['https://depts.washington.edu/eooptic/linkfiles/dielectric_chart%5B1%5D.pdf']\nacetonitrile 37.5 ['https://depts.washington.edu/eooptic/linkfiles/dielectric_chart%5B1%5D.pdf']\nanisole 4.33 ['https://depts.washington.edu/eooptic/linkfiles/dielectric_chart%5B1%5D.pdf']\nbenzene 2.27 ['https://depts.washington.edu/eooptic/linkfiles/dielectric_chart%5B1%5D.pdf']\nbromobenzene 5.17 ['https://depts.washington.edu/eooptic/linkfiles/dielectric_chart%5B1%5D.pdf']\n...\n```\n\n## Adding New Values\n\nAdding new values is simple! Just add it to one of the `.csv` files in [src/qcconst/data](https://github.com/coltonbh/qcconst/tree/master/src/qcconst/data). Include the value, its source, and any other required metadata and then open a PR. That's it! \u2728\n\n## The QC Suite of Programs\n\nIf you like `qcconst` you may like my other libraries for computational chemistry.\n\n- [qcio](https://github.com/coltonbh/qcio) - Elegant and intuitive data structures for quantum chemistry, featuring seamless Jupyter Notebook visualizations. [Documentation](https://qcio.coltonhicks.com)\n- [qcparse](https://github.com/coltonbh/qcparse) - A library for efficient parsing of quantum chemistry data into structured `qcio` objects.\n- [qcop](https://github.com/coltonbh/qcop) - A package for operating quantum chemistry programs using `qcio` standardized data structures. Compatible with `TeraChem`, `psi4`, `QChem`, `NWChem`, `ORCA`, `Molpro`, `geomeTRIC` and many more.\n- [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.\n- `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.\n",
"bugtrack_url": null,
"license": "The MIT License (MIT) Copyright (c) 2025 Colton Hicks Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the \"Software\"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions: The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software. THE SOFTWARE IS PROVIDED \"AS IS\", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.",
"summary": "Physical constants, conversion factors, and a periodic table with clear source information for every value.",
"version": "0.1.0",
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