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qcvim
qcvim PublicForked from xis19/qcvim
VIM highlight files for Quantum Chemistry packages
Vim Script 1
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LSC-IVR-Amber
LSC-IVR-Amber PublicForked from jianliugroup/LSC-IVR-Amber
Some additional code for the LSC-IVR tutorial
Fortran
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SC-IVR-Code-Package
SC-IVR-Code-Package PublicForked from AnanthGroup/SC-IVR-Code-Package
The SC-Corr Code Package is a FORTRAN-based program that contains various ways of computing the real-time correlation function under the semiclassical initial value representation.
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minke1
minke1 PublicForked from xis19/minke1
A script looks like crap but actually automatically generates excited state calculation reports
Python
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python_demos
python_demos PublicThis repo summarizes example python demo codes mostly in Jupyter Notebooks
Jupyter Notebook
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- benchmark-data Public
xiangsunlab/benchmark-data’s past year of commit activity - MBX-1 Public Forked from paesanilab/MBX
DO NOT CLONE. Currently under development. This code will be able to calculate the energy of a set of systems composed by molecules, each molecule composed by monomers.
xiangsunlab/MBX-1’s past year of commit activity - python-tutorial Public
xiangsunlab/python-tutorial’s past year of commit activity - pyrho Public Forked from berkelbach-group/pyrho
a python package for reduced density matrix techniques
xiangsunlab/pyrho’s past year of commit activity - md-tutorial Public
xiangsunlab/md-tutorial’s past year of commit activity - minke1 Public Forked from xis19/minke1
A script looks like crap but actually automatically generates excited state calculation reports
xiangsunlab/minke1’s past year of commit activity - SC-IVR-Code-Package Public Forked from AnanthGroup/SC-IVR-Code-Package
The SC-Corr Code Package is a FORTRAN-based program that contains various ways of computing the real-time correlation function under the semiclassical initial value representation.
xiangsunlab/SC-IVR-Code-Package’s past year of commit activity
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