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Nathan Baker cc5752be12 Add Spack configuration files. 
Files for PROPKA, PDB2PQR, APBS.

Fixes #191.
2022-10-15 13:34:31 -07:00
.github
Nsoblath/new issue 207: Addressing python version test (#229)
2022-04-28 16:37:14 -07:00
apbs
Update _version.py
2022-04-29 14:05:51 -07:00
cmake
Nsoblath/issue 226: FETK update (#227)
2022-04-28 10:37:01 -07:00
contrib/iapbs
Nsoblath/issue 226: FETK update (#227)
2022-04-28 10:37:01 -07:00
data
This big mess partial check-in is a cry for help.
2021-05-31 19:22:45 -07:00
docs
Add Spack configuration files.
2022-10-15 13:34:31 -07:00
examples
Nsoblath/issue 163 (#171)
2022-01-24 15:33:56 -08:00
externals
Nsoblath/issue 163 (#171)
2022-01-24 15:33:56 -08:00
src
Nsoblath/issue 226: FETK update (#227)
2022-04-28 10:37:01 -07:00
test
Add TABI documentation (#168)
2021-08-25 09:27:57 -07:00
tests
Nsoblath/new issue 207: Addressing python version test (#229)
2022-04-28 16:37:14 -07:00
tools
Add Spack configuration files.
2022-10-15 13:34:31 -07:00
.build_min.sh
Git submodule all platforms
2020-11-30 19:43:37 -08:00
.build.sh
Nsoblath/new issue 207: Addressing python version test (#229)
2022-04-28 16:37:14 -07:00
.extract_section.sh
Nsoblath/issue 163 (#171)
2022-01-24 15:33:56 -08:00
.gitignore
Nsoblath/issue 163 (#171)
2022-01-24 15:33:56 -08:00
.gitmodules
Nsoblath/issue 163 (#171)
2022-01-24 15:33:56 -08:00
.readthedocs.yaml
noci Update Sphinx documentation build
2021-09-16 21:36:58 +00:00
CMakeLists.txt
Nsoblath/new issue 207: Addressing python version test (#229)
2022-04-28 16:37:14 -07:00
CODE_OF_CONDUCT.md
Create CODE_OF_CONDUCT.md
2020-07-05 08:04:24 -07:00
CONTRIBUTING.md
Create CONTRIBUTING.md
2021-03-29 19:22:29 -07:00
COPYING
Pull changes of deleted files.
2020-04-23 15:06:50 -04:00
Dockerfile.centos
Nsoblath/new issue 207: Addressing python version test (#229)
2022-04-28 16:37:14 -07:00
Dockerfile.ubuntu
Nsoblath/new issue 207: Addressing python version test (#229)
2022-04-28 16:37:14 -07:00
LICENSE.md
Updated license, version, and release info for pending release
2022-04-29 10:23:12 -07:00
pyproject.toml
Update pyproject.toml
2021-06-07 09:30:57 -07:00
pytest.ini
Added support and examples for PYGBE (#164)
2021-08-19 15:41:04 -07:00
README.md
Nsoblath/issue 163 (#171)
2022-01-24 15:33:56 -08:00
requirements.txt
Restructure apbs package.
2021-06-04 11:37:51 -07:00
setup.cfg
Added support and examples for PYGBE (#164)
2021-08-19 15:41:04 -07:00
setup.py
noci Update Sphinx documentation build
2021-09-16 21:44:34 +00:00
VERSION
Updated license, version, and release info for pending release
2022-04-29 10:23:12 -07:00

README.md

APBS - Adaptive Poisson-Boltzmann Solver

Documentation Status Github Action Build Status

This repository contains the APBS software.

For more information about APBS, please see

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Description
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Readme 69 MiB
Languages
C 66.5%
Python 10.7%
MATLAB 10.6%
Rich Text Format 2.6%
Fortran 2.6%
Other 7%