Pinned Repositories
amspipe
a library that implements the worker side of the AMS pipe protocol
dftd3-lib
Library version of S. Grimmes DFTD3 code.
ftl
The Fortran Template Library
nano-qmflows
Package containing several workflows to compute molecular properties for nanomaterials
PLAMS
Python Library for Automating Molecular Simulations
primme
PReconditioned Iterative MultiMethod Eigensolver
pyZacros
Python Library for Automating Zacros Simulations
qmflows
This library tackles the construction and efficient execution of computational chemistry workflows
qmflows_examples
Computational chemistry workflow examples using the QMFlows package
SPGL1_python_port
Port of SPGL1 to python
SCM - Software for Chemistry and Materials's Repositories
SCM-NV/ftl
The Fortran Template Library
SCM-NV/PLAMS
Python Library for Automating Molecular Simulations
SCM-NV/qmflows
This library tackles the construction and efficient execution of computational chemistry workflows
SCM-NV/nano-qmflows
Package containing several workflows to compute molecular properties for nanomaterials
SCM-NV/pyZacros
Python Library for Automating Zacros Simulations
SCM-NV/primme
PReconditioned Iterative MultiMethod Eigensolver
SCM-NV/qmflows_examples
Computational chemistry workflow examples using the QMFlows package
SCM-NV/SPGL1_python_port
Port of SPGL1 to python
SCM-NV/amspipe
a library that implements the worker side of the AMS pipe protocol
SCM-NV/dftd3-lib
Library version of S. Grimmes DFTD3 code.
SCM-NV/json-fortran
A Modern Fortran JSON API