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libecpint
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public |
A C++ library for the efficient evaluation of integrals over effective core potentials.
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2025-03-25 |
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mdsapt
|
public |
SAPT Calculations for MDAnalysis
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2025-03-25 |
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libtensorlight
|
public |
C++ library for tensor computations
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2025-03-25 |
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dftd4
|
public |
A generally applicable London dispersion correction
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2025-03-25 |
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llvm-openmp
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public |
The OpenMP API supports multi-platform shared-memory parallel programming in C/C++ and Fortran.
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2025-03-25 |
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cirq
|
public |
Google's python framework for creating, editing, and invoking Noisy Intermediate Scale Quantum (NISQ) circuits
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2025-03-25 |
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quimb
|
public |
No Summary
|
2025-03-25 |
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miniforte
|
public |
No Summary
|
2025-03-25 |
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pybind11-headers
|
public |
Seamless operability between C++11 and Python
|
2025-03-25 |
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fockci
|
public |
S. Houck's Fock-space CI (RAS-nSF-IP/EA) plugin to Psi4
|
2025-03-25 |
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adcc
|
public |
adcc: Seamlessly connect your program to ADC
|
2025-03-25 |
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optking
|
public |
A geometry optimizer for quantum chemistry.
|
2025-03-25 |
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h5py
|
public |
Read and write HDF5 files from Python
|
2025-03-25 |
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hdf5
|
public |
HDF5 is a data model, library, and file format for storing and managing data
|
2025-03-25 |
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libint2
|
public |
E. Valeev and J. Fermann's two-body Gaussian molecular integrals
|
2025-03-25 |
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postg
|
public |
E. Johnson and A. Otero de la Roza's exchange-hold dipole moment (XDM) dispersion correction for DFT
|
2025-03-25 |
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pycppe
|
public |
C++ and Python library for Polarizable Embedding calculations
|
2025-03-25 |
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cppe
|
public |
C++ and Python library for Polarizable Embedding calculations
|
2025-03-25 |
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dataclasses
|
public |
An implementation of PEP 557: Data Classes
|
2025-03-25 |
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qcengine
|
public |
A wrapper for Quantum Chemistry engines that adheres to the MolSSI (molssi.org) QCSchema.
|
2025-03-25 |
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pydantic
|
public |
Data validation and settings management using python type hinting
|
2025-03-25 |
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mp2d
|
public |
C. Greenwell's dispersion correction for MP2 quantum chemical method
|
2025-03-25 |
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helpme
|
public |
A. Simmonett's efficient library for particle mesh Ewald
|
2025-03-25 |
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qcelemental
|
public |
QCElemental is a resource module for quantum chemistry containing physical constants and periodic table data from NIST and molecule handlers.
|
2025-03-25 |
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pint
|
public |
Operate and manipulate physical quantities in Python
|
2025-03-25 |
