SCM - Software for Chemistry and Materials

Amsterdam

Pinned Repositories

amspipe
a library that implements the worker side of the AMS pipe protocol
Language:C++0 6 00
dftd3-lib
Library version of S. Grimmes DFTD3 code.
Language:Fortran0 6 00
ftl
The Fortran Template Library
Language:Fortran113 16 1213
nano-qmflows
Package containing several workflows to compute molecular properties for nanomaterials
Language:Python10 8 13510
PLAMS
Python Library for Automating Molecular Simulations
Language:Python64 13 3924
primme
PReconditioned Iterative MultiMethod Eigensolver
Language:C1 4 00
pyZacros
Python Library for Automating Zacros Simulations
Language:Python7 7 492
qmflows
This library tackles the construction and efficient execution of computational chemistry workflows
Language:Python45 9 1079
qmflows_examples
Computational chemistry workflow examples using the QMFlows package
Language:Python1 4 00
SPGL1_python_port
Port of SPGL1 to python
Language:Python1 4 01

SCM-NV/ftl
The Fortran Template Library
Language:Fortran113 16 1213
SCM-NV/PLAMS
Python Library for Automating Molecular Simulations
Language:Python64 13 3924
SCM-NV/qmflows
This library tackles the construction and efficient execution of computational chemistry workflows
Language:Python45 9 1079
SCM-NV/nano-qmflows
Package containing several workflows to compute molecular properties for nanomaterials
Language:Python10 8 13510
SCM-NV/pyZacros
Python Library for Automating Zacros Simulations
Language:Python7 7 492
SCM-NV/primme
PReconditioned Iterative MultiMethod Eigensolver
Language:C1 4 00
SCM-NV/qmflows_examples
Computational chemistry workflow examples using the QMFlows package
Language:Python1 4 00
SCM-NV/SPGL1_python_port
Port of SPGL1 to python
Language:Python1 4 01
SCM-NV/amspipe
a library that implements the worker side of the AMS pipe protocol
Language:C++0 6 00
SCM-NV/dftd3-lib
Library version of S. Grimmes DFTD3 code.
Language:Fortran0 6 00
SCM-NV/json-fortran
A Modern Fortran JSON API
Language:Fortran0 0