Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / linusjoonho/ipie issues and pull requests

#228 - Better timing information

Issue - State: open - Opened by fdmalone over 1 year ago
Labels: enhancement, good first issue

#227 - removing confusing nwalkers_per_task

Pull Request - State: closed - Opened by linusjoonho over 1 year ago - 1 comment

#226 - GHF - round 1

Pull Request - State: open - Opened by linusjoonho over 1 year ago

#225 - one more test for complex integral local energy

Pull Request - State: closed - Opened by linusjoonho over 1 year ago - 1 comment

#224 - Example with ZeroMQ

Pull Request - State: open - Opened by scemama over 1 year ago - 2 comments

#223 - Linting

Pull Request - State: closed - Opened by fdmalone over 1 year ago - 1 comment

#222 - Ham4fold

Pull Request - State: closed - Opened by linusjoonho over 1 year ago

#221 - Allow for no mpi

Issue - State: open - Opened by fdmalone over 1 year ago - 7 comments
Labels: enhancement

#220 - Ham4fold - first round

Pull Request - State: closed - Opened by linusjoonho over 1 year ago - 1 comment

#219 - TREXIO interface

Pull Request - State: closed - Opened by scemama over 1 year ago - 7 comments

#218 - Hamiltonian refactoring

Pull Request - State: closed - Opened by linusjoonho over 1 year ago - 1 comment

#217 - [BUG]

Issue - State: open - Opened by jiangtong1000 over 1 year ago - 1 comment
Labels: bug

#216 - testing more examples during the CI

Pull Request - State: closed - Opened by linusjoonho over 1 year ago - 1 comment

#215 - Walker cleanup - round 2

Pull Request - State: closed - Opened by linusjoonho over 1 year ago - 1 comment

#214 - Think about walker restarting

Issue - State: open - Opened by fdmalone over 1 year ago
Labels: enhancement, good first issue

#213 - Walker cleanup - first round

Pull Request - State: closed - Opened by linusjoonho over 1 year ago - 1 comment

#211 - Add some dev tools

Issue - State: closed - Opened by fdmalone over 1 year ago - 1 comment
Labels: enhancement

#210 - Use ubuntu latest for CI.

Pull Request - State: closed - Opened by fdmalone over 1 year ago - 1 comment

#209 - Propagator should be refactored

Issue - State: closed - Opened by fdmalone over 1 year ago - 1 comment
Labels: enhancement

#208 - Fix docstrings

Issue - State: open - Opened by fdmalone over 1 year ago
Labels: documentation, good first issue

#207 - Sanitize arguments

Issue - State: closed - Opened by fdmalone over 1 year ago - 1 comment
Labels: enhancement, good first issue

#206 - WalkerHandler should not know about trial wavefunction / perform logic

Issue - State: closed - Opened by fdmalone over 1 year ago - 1 comment
Labels: enhancement, good first issue

#205 - pyscf factory methods

Issue - State: open - Opened by fdmalone over 1 year ago
Labels: enhancement, good first issue

#204 - Add multiple dispatch for low level functions

Issue - State: open - Opened by fdmalone over 1 year ago
Labels: enhancement

#203 - Add example for using custom wavefunction

Pull Request - State: closed - Opened by fdmalone over 1 year ago - 1 comment

#201 - Refactor trial

Pull Request - State: closed - Opened by fdmalone almost 2 years ago - 1 comment

#200 - Remove cythonized code from repo

Pull Request - State: closed - Opened by fdmalone almost 2 years ago - 1 comment

#199 - Bump minimum h5py version.

Pull Request - State: closed - Opened by fdmalone almost 2 years ago - 1 comment

#198 - [BUG] An issue with h5py

Issue - State: closed - Opened by vvp-nsk almost 2 years ago - 3 comments
Labels: bug

#197 - Configure codecov a bit better.

Pull Request - State: closed - Opened by fdmalone almost 2 years ago - 1 comment

#196 - Fix build requirements

Pull Request - State: closed - Opened by fdmalone almost 2 years ago - 1 comment

#195 - Fix wheel building workflow

Pull Request - State: closed - Opened by fdmalone almost 2 years ago - 1 comment

#194 - [skip ci] Add workflow_dispatch.

Pull Request - State: closed - Opened by fdmalone almost 2 years ago

#193 - [skip ci] Fix typo in publish.

Pull Request - State: closed - Opened by fdmalone almost 2 years ago

#192 - Fix wheels to conform to manylinux.

Pull Request - State: closed - Opened by fdmalone almost 2 years ago - 1 comment

#191 - Fix release

Pull Request - State: closed - Opened by fdmalone almost 2 years ago - 1 comment

#190 - Publish

Pull Request - State: closed - Opened by fdmalone almost 2 years ago - 1 comment

#189 - Oao bug fix

Pull Request - State: closed - Opened by linusjoonho almost 2 years ago - 1 comment

#188 - Fixes for pip

Pull Request - State: closed - Opened by fdmalone almost 2 years ago - 1 comment

#187 - Fix variational energy evaluation for trial wavefunction with complex coefficients.

Pull Request - State: closed - Opened by fdmalone almost 2 years ago - 1 comment

#186 - Merging develop into main for release

Pull Request - State: closed - Opened by fdmalone almost 2 years ago

#185 - Fix versioning.

Pull Request - State: closed - Opened by fdmalone almost 2 years ago - 1 comment

#184 - Fix ipie setup

Pull Request - State: closed - Opened by fdmalone almost 2 years ago - 1 comment

#183 - Licensing

Pull Request - State: closed - Opened by fdmalone almost 2 years ago - 1 comment

#182 - Unpin h5py dependency

Issue - State: closed - Opened by wjhuggins almost 2 years ago
Labels: help wanted

#177 - Use pyscf's hcore function rather than handrolled

Pull Request - State: closed - Opened by fdmalone about 2 years ago - 1 comment

#176 - [BUG] Minor modification of pyscf_to_ipie.py for the ECP case

Issue - State: closed - Opened by vvp-nsk about 2 years ago
Labels: bug

#175 - Remove nalpha/nbeta option from dice converter.

Pull Request - State: closed - Opened by fdmalone about 2 years ago

#174 - small bug fixes

Pull Request - State: closed - Opened by hungpham2017 about 2 years ago - 1 comment

#173 - [BUG] lacking of __init__.py

Issue - State: closed - Opened by hungpham2017 about 2 years ago
Labels: bug

#172 - FP-AFQMC

Issue - State: open - Opened by fdmalone about 2 years ago - 2 comments
Labels: enhancement

#170 - SHCI trial wavefunctions

Issue - State: open - Opened by fdmalone about 2 years ago
Labels: documentation

#167 - Fix Read the Docs

Issue - State: open - Opened by fdmalone about 2 years ago
Labels: documentation

#166 - [BUG] GPU: numpy.linalg.LinAlgError: 3-dimensional array given. Array must be two-dimensional

Issue - State: closed - Opened by vvp-nsk about 2 years ago - 7 comments
Labels: bug

#165 - Main

Pull Request - State: closed - Opened by linusjoonho about 2 years ago - 1 comment

#164 - merging develop to main for ci changes

Pull Request - State: closed - Opened by linusjoonho about 2 years ago - 1 comment

#163 - merging develop into main

Pull Request - State: closed - Opened by linusjoonho about 2 years ago

#162 - Minor usability updates

Pull Request - State: closed - Opened by fdmalone about 2 years ago

#161 - Automatically detect underlying active space in CAS trial

Pull Request - State: closed - Opened by fdmalone about 2 years ago

#160 - Use mo_occ for SD trials.

Pull Request - State: closed - Opened by fdmalone about 2 years ago

#159 - Inconsistent ROHF energy

Issue - State: closed - Opened by vvp-nsk about 2 years ago - 1 comment

#158 - Fix writing of ROHF trial wavefunctions

Pull Request - State: closed - Opened by fdmalone about 2 years ago

#157 - Problem with array reshaping

Issue - State: closed - Opened by vvp-nsk about 2 years ago - 10 comments

#156 - cupy versions requirements + build help

Issue - State: closed - Opened by fdmalone about 2 years ago - 2 comments

#154 - Remove config print.

Pull Request - State: closed - Opened by fdmalone about 2 years ago

#153 - Fix MSD bug

Pull Request - State: closed - Opened by fdmalone about 2 years ago - 2 comments

#152 - 02-multi_determinant not working

Issue - State: closed - Opened by michaelstreif about 2 years ago - 2 comments

#149 - Add configurable gpu

Pull Request - State: closed - Opened by fdmalone about 2 years ago - 2 comments

#148 - Better MSD Defaults

Pull Request - State: closed - Opened by fdmalone about 2 years ago

#147 - critical typo for green's function is fixed

Pull Request - State: closed - Opened by linusjoonho about 2 years ago

#145 - adding batched qr operations

Pull Request - State: closed - Opened by linusjoonho about 2 years ago

#142 - Runtime dependent bug for GPU chunking fixed

Pull Request - State: closed - Opened by linusjoonho about 2 years ago

#140 - removing bigmpi4py from our code completely

Pull Request - State: closed - Opened by linusjoonho about 2 years ago

#139 - type error in estimator handler fixed for gpu

Pull Request - State: closed - Opened by linusjoonho about 2 years ago

#138 - making autocorr take the biggest sample size possible

Pull Request - State: closed - Opened by linusjoonho about 2 years ago

#137 - Refactor Estimators

Pull Request - State: closed - Opened by fdmalone over 2 years ago

#134 - Refactor PYSCF Interface

Pull Request - State: closed - Opened by fdmalone over 2 years ago

#133 - Resurrect read the docs

Issue - State: closed - Opened by fdmalone over 2 years ago

#126 - Refactor wicks helper

Issue - State: open - Opened by fdmalone over 2 years ago
Labels: enhancement

#124 - Check ndet_chunk is not > ndets

Pull Request - State: closed - Opened by fdmalone over 2 years ago

#122 - Doc updates

Pull Request - State: closed - Opened by fdmalone over 2 years ago

#121 - Analyse stdout instead of hdf5 by default

Pull Request - State: closed - Opened by fdmalone over 2 years ago - 1 comment

#118 - Add back badge.

Pull Request - State: closed - Opened by fdmalone over 2 years ago

#117 - Add CI workflow back.

Pull Request - State: closed - Opened by fdmalone over 2 years ago

#112 - Trial Wavefunction Needs to be refactored

Issue - State: closed - Opened by fdmalone over 2 years ago - 2 comments

#110 - local energy chunking bug for direct GPU-GPU communication

Issue - State: closed - Opened by linusjoonho over 2 years ago - 2 comments

#103 - pypi

Issue - State: closed - Opened by fdmalone over 2 years ago - 1 comment

#99 - Remove MPI3 Shared memory

Issue - State: open - Opened by fdmalone over 2 years ago - 1 comment
Labels: enhancement

#98 - Add wicks + optimized wicks MPI integration test

Issue - State: open - Opened by fdmalone over 2 years ago - 1 comment
Labels: good first issue, testing

#74 - Add new MPI tests (RHF, open-shell)

Issue - State: open - Opened by linusjoonho over 2 years ago
Labels: good first issue, testing

#64 - GPU CI testing

Issue - State: open - Opened by fdmalone over 2 years ago
Labels: testing

#54 - Use get_input_value by default.

Issue - State: closed - Opened by fdmalone over 2 years ago - 1 comment

#53 - Use logger

Issue - State: open - Opened by fdmalone over 2 years ago
Labels: enhancement, good first issue

#51 - setup config for memory / device management

Issue - State: closed - Opened by fdmalone over 2 years ago - 2 comments

#46 - Remove walker.ot

Issue - State: closed - Opened by fdmalone over 2 years ago - 2 comments

#40 - Average over processors for timing print

Issue - State: closed - Opened by linusjoonho over 2 years ago

#39 - <S^2> mixed estimator should be available by default

Issue - State: open - Opened by linusjoonho over 2 years ago
Labels: enhancement, good first issue