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Oak Ridge National Laboratory
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qmcpack
qmcpack PublicForked from QMCPACK/qmcpack
Main repository for QMCPACK, an open-source production level many-body ab initio Quantum Monte Carlo code for computing the electronic structure of atoms, molecules, and solids.
C++
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quantum_package
quantum_package PublicForked from LCPQ/quantum_package
Set of quantum chemistry programs and libraries
Fortran
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pseudopotentiallibrary
pseudopotentiallibrary PublicForked from QMCPACK/pseudopotentiallibrary
Repository for PseudopotentialLibrary.org website and database
PHP
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miniqmc
miniqmc PublicForked from QMCPACK/miniqmc
QMCPACK miniapp: a simplified real space QMC code for algorithm development, performance portability testing, and computer science experiments
C++
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nexus_training
nexus_training PublicForked from QMCPACK/nexus_training
Collection of training material for Nexus development and use
Python
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rmgdft
rmgdft PublicForked from RMGDFT/rmgdft
RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density functional theory and uses a real space basis and pseudopotentials.
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134 contributions in the last year
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Contribution activity
March 2025
Created 1 commit in 1 repository
Created a pull request in QMCPACK/qmcpack that received 3 comments
[FYI] Dipole moment estimator
Proposed changes Add a dipole moment estimator for the batched code. Molecules only. What type(s) of changes does this code introduce? New feature …
Opened 1 other pull request in 1 repository
QMCPACK/qmcpack
1
merged
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Nexus: support for stochastic reconfiguration and basic orbital rotation
This contribution was made on Mar 19
Reviewed 1 pull request in 1 repository
QMCPACK/qmcpack
1 pull request
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Nexus: support for stochastic reconfiguration and basic orbital rotation
This contribution was made on Mar 20
Opened 1 issue in 1 repository
QMCPACK/qmcpack
1
open
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Unmerged PR's with useful features
This contribution was made on Mar 19