Ecosyste.ms: Issues
An open API service for providing issue and pull request metadata for open source projects.
GitHub / FermiQC/Fermi.jl issues and pull requests
#142 - criteria for oda damping value
Issue -
State: open - Opened by thudjx 5 months ago
- 1 comment
#141 - MCSCF structure
Pull Request -
State: closed - Opened by SMchemi 6 months ago
#140 - OutOfMemoryError ?
Issue -
State: open - Opened by Nick-Mul 11 months ago
- 1 comment
#139 - CompatHelper: bump compat for TensorOperations to 4, (keep existing compat)
Pull Request -
State: open - Opened by github-actions[bot] about 1 year ago
#138 - Question
Issue -
State: open - Opened by Nick-Mul over 1 year ago
- 1 comment
Labels: good first issue, New Implementation
#137 - CompatHelper: bump compat for Strided to 2, (keep existing compat)
Pull Request -
State: open - Opened by github-actions[bot] over 1 year ago
#136 - energy difference
Issue -
State: open - Opened by maartenvd over 1 year ago
- 1 comment
Labels: enhancement
#135 - CompatHelper: add new compat entry for KrylovKit at version 0.6, (keep existing compat)
Pull Request -
State: open - Opened by github-actions[bot] almost 2 years ago
#134 - New tag - 0.5.0
Pull Request -
State: open - Opened by gustavojra about 2 years ago
- 1 comment
#133 - CompatHelper: bump compat for PrettyTables to 2, (keep existing compat)
Pull Request -
State: open - Opened by github-actions[bot] about 2 years ago
#132 - TBLIS issue
Issue -
State: open - Opened by MarkoHorbatsch about 2 years ago
- 1 comment
#131 - FCI + Fix to DirectRHF
Pull Request -
State: closed - Opened by gustavojra about 2 years ago
- 1 comment
#130 - CompatHelper: add new compat entry for KrylovKit at version 0.5, (keep existing compat)
Pull Request -
State: open - Opened by github-actions[bot] about 2 years ago
#129 - Gradient macro for general finite differences and analytic RHF gradients
Pull Request -
State: closed - Opened by hfmull over 2 years ago
- 4 comments
#128 - CompatHelper: bump compat for Molecules to 0.3, (keep existing compat)
Pull Request -
State: open - Opened by github-actions[bot] over 2 years ago
#127 - Separating Vnuc from Fermi.Molecule for coming gradient work
Pull Request -
State: closed - Opened by hfmull over 2 years ago
- 1 comment
#126 - IntegralHelper -- Generating Integrals
Issue -
State: open - Opened by gustavojra over 2 years ago
#125 - CompatHelper: bump compat for Molecules to 0.2, (keep existing compat)
Pull Request -
State: open - Opened by github-actions[bot] over 2 years ago
#124 - CompatHelper: bump compat for GaussianBasis to 0.3, (keep existing compat)
Pull Request -
State: open - Opened by github-actions[bot] over 2 years ago
#123 - Tblis purge
Pull Request -
State: closed - Opened by gustavojra over 2 years ago
- 1 comment
#121 - Molecular Hamiltonian as LinearMap?
Issue -
State: open - Opened by msmerlak over 2 years ago
- 2 comments
#120 - supporting AtomsBase
Issue -
State: open - Opened by rkurchin over 2 years ago
- 3 comments
#119 - RHF with H2 errors
Issue -
State: open - Opened by mtfishman over 2 years ago
- 7 comments
Labels: good first issue, HartreeFock
#118 - Non-concrete `Atom` types in `Molecule`
Issue -
State: open - Opened by thchr over 2 years ago
- 3 comments
#116 - One- and two-body integrals from Hartree-Fock
Issue -
State: closed - Opened by mtfishman over 2 years ago
- 1 comment
#115 - Documentation
Pull Request -
State: closed - Opened by gustavojra over 2 years ago
- 1 comment
#114 - Major refactorization: AO Integrals moved into GaussianBasis.jl
Pull Request -
State: closed - Opened by gustavojra over 2 years ago
- 2 comments
#113 - Drop `deps/build.jl`
Issue -
State: closed - Opened by carstenbauer over 2 years ago
- 4 comments
#112 - Use libcint_jll instead of cmake in deps/build.jl (#111)
Pull Request -
State: closed - Opened by carstenbauer over 2 years ago
- 1 comment
#111 - libcint: use Julia Artifact libcint_jll.jl
Issue -
State: closed - Opened by carstenbauer over 2 years ago
- 1 comment
#110 - New tests and GaussianBasis.jl
Pull Request -
State: closed - Opened by gustavojra almost 3 years ago
- 1 comment
#109 - CompatHelper: add new compat entry for LoopVectorization at version 0.12, (keep existing compat)
Pull Request -
State: closed - Opened by github-actions[bot] almost 3 years ago
#108 - CompatHelper: add new compat entry for Octavian at version 0.3, (keep existing compat)
Pull Request -
State: closed - Opened by github-actions[bot] almost 3 years ago
#107 - (T) improved, new implementations added
Pull Request -
State: closed - Opened by gustavojra almost 3 years ago
- 2 comments
#106 - Desireble feature: Projected CC amplitudes
Issue -
State: open - Opened by gustavojra about 3 years ago
Labels: CoupledCluster
#105 - Orbitals objects are not within "best practices"
Issue -
State: open - Opened by gustavojra about 3 years ago
Labels: enhancement
#104 - Reformulate `BasisSet` fields
Issue -
State: closed - Opened by gustavojra about 3 years ago
- 1 comment
Labels: enhancement
#103 - Remove `molecule` from `IntegralHelper`
Issue -
State: open - Opened by gustavojra about 3 years ago
Labels: enhancement
#102 - Separate `get_scf_alg` into `get_uhf_alg` and `get_rhf_alg`
Issue -
State: closed - Opened by gustavojra about 3 years ago
Labels: enhancement, good first issue, HartreeFock
#101 - Spin contamination
Issue -
State: open - Opened by gustavojra about 3 years ago
Labels: enhancement, good first issue, HartreeFock
#100 - Finite Difference Gradients
Issue -
State: open - Opened by gustavojra about 3 years ago
Labels: Gradients
#99 - CompatHelper: add new compat entry for "Memoize" at version "0.4"
Pull Request -
State: closed - Opened by github-actions[bot] about 3 years ago
- 2 comments
#98 - DF and SparseERI for UHF
Pull Request -
State: closed - Opened by sgoodlett about 3 years ago
- 2 comments
#97 - UHF implementation
Pull Request -
State: closed - Opened by sgoodlett about 3 years ago
- 2 comments
Labels: New Method, New Implementation
#96 - Improve Error messages
Issue -
State: closed - Opened by gustavojra over 3 years ago
- 1 comment
Labels: enhancement
#95 - Base.show needs to pass io
Issue -
State: closed - Opened by gustavojra over 3 years ago
#94 - More tests
Pull Request -
State: closed - Opened by gustavojra over 3 years ago
- 1 comment
#93 - CompatHelper: add new compat entry for "Strided" at version "1"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
- 1 comment
#92 - CompatHelper: add new compat entry for "PrettyTables" at version "1"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
- 1 comment
#91 - Tests for Integrals.jl
Pull Request -
State: closed - Opened by gustavojra over 3 years ago
- 1 comment
#90 - New docsstrings
Pull Request -
State: closed - Opened by gustavojra over 3 years ago
- 1 comment
#89 - New documentations and clean up!
Pull Request -
State: closed - Opened by gustavojra over 3 years ago
- 1 comment
#88 - Fix docs
Pull Request -
State: closed - Opened by gustavojra over 3 years ago
#87 - New docs for home page
Pull Request -
State: closed - Opened by gustavojra over 3 years ago
- 1 comment
#86 - New tests for Arrays
Pull Request -
State: closed - Opened by gustavojra over 3 years ago
- 1 comment
#85 - Fermi.Error removed
Pull Request -
State: closed - Opened by gustavojra over 3 years ago
- 1 comment
#84 - CompatHelper: add new compat entry for "PrettyTables" at version "1.0"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#83 - CompatHelper: add new compat entry for "Suppressor" at version "0.2"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#82 - Fixing tests for @get
Pull Request -
State: closed - Opened by gustavojra over 3 years ago
- 1 comment
#81 - Small fixes
Pull Request -
State: closed - Opened by gustavojra over 3 years ago
#80 - Single precision implemented
Pull Request -
State: closed - Opened by gustavojra over 3 years ago
#79 - Deploy docs
Pull Request -
State: closed - Opened by gustavojra over 3 years ago
#78 - CompatHelper: add new compat entry for "Memoize" at version "0.4"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#77 - Lints removed
Pull Request -
State: closed - Opened by gustavojra over 3 years ago
#76 - CompatHelper: bump compat for "MPI" to "0.17"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#75 - CompatHelper: bump compat for "PrettyTables" to "1.0"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#74 - CompatHelper: add new compat entry for "Lints" at version "0.4"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#73 - CompatHelper: bump compat for "IterativeSolvers" to "0.9"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#72 - Changes to logo
Pull Request -
State: closed - Opened by gustavojra over 3 years ago
- 1 comment
#71 - CompatHelper: add new compat entry for "Strided" at version "1.1"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#70 - Add one extra standard basis set for testing
Pull Request -
State: closed - Opened by gustavojra over 3 years ago
- 1 comment
#69 - Libcint now used for integrals
Pull Request -
State: closed - Opened by gustavojra over 3 years ago
#68 - CompatHelper: bump compat for "PrettyTables" to "1.0"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#67 - CompatHelper: bump compat for "PrettyTables" to "0.12"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#66 - CompatHelper: add new compat entry for "Lints" at version "0.4"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#65 - Update TagBot.yml
Pull Request -
State: closed - Opened by gustavojra over 3 years ago
#64 - TagBot trigger issue
Issue -
State: closed - Opened by JuliaTagBot over 3 years ago
- 6 comments
#63 - CompatHelper: bump compat for "LoopVectorization" to "0.12"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#62 - CompatHelper: bump compat for "MPI" to "0.17"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#61 - First batch towards 1.0
Pull Request -
State: closed - Opened by gustavojra over 3 years ago
- 1 comment
#60 - CompatHelper: bump compat for "ArnoldiMethod" to "0.2"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#59 - CompatHelper: bump compat for "HDF5" to "0.15"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#58 - CompatHelper: bump compat for "LoopVectorization" to "0.11"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#57 - CompatHelper: bump compat for "LoopVectorization" to "0.10"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#56 - CompatHelper: bump compat for "PrettyTables" to "0.11"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#55 - CompatHelper: bump compat for "HDF5" to "0.15"
Pull Request -
State: closed - Opened by github-actions[bot] over 3 years ago
#54 - CompatHelper: bump compat for "IterativeSolvers" to "0.9"
Pull Request -
State: closed - Opened by github-actions[bot] almost 4 years ago
#53 - CompatHelper: bump compat for "ArnoldiMethod" to "0.1"
Pull Request -
State: closed - Opened by github-actions[bot] almost 4 years ago
#52 - CompatHelper: bump compat for "LoopVectorization" to "0.9"
Pull Request -
State: closed - Opened by github-actions[bot] almost 4 years ago
#51 - Major updates on ecCC
Pull Request -
State: closed - Opened by gustavojra almost 4 years ago
#50 - CompatHelper: bump compat for "HDF5" to "0.14"
Pull Request -
State: closed - Opened by github-actions[bot] almost 4 years ago
#49 - CompatHelper: bump compat for "MPI" to "0.16"
Pull Request -
State: closed - Opened by github-actions[bot] almost 4 years ago
#48 - CompatHelper: bump compat for "PrettyTables" to "0.10"
Pull Request -
State: closed - Opened by github-actions[bot] almost 4 years ago
#47 - Error printing determinants at the end of CI computation
Issue -
State: closed - Opened by gustavojra about 4 years ago
- 2 comments
Labels: good first issue
#46 - raise ceiling for Lints to ^0.4
Pull Request -
State: closed - Opened by mdav2 about 4 years ago
#45 - bump to v0.1.0
Pull Request -
State: closed - Opened by mdav2 about 4 years ago
#44 - add normalize option, doc improvements
Pull Request -
State: closed - Opened by mdav2 about 4 years ago
#43 - add doc workflow
Pull Request -
State: closed - Opened by mdav2 about 4 years ago
#41 - Mysterious parameter in the RHF code
Issue -
State: closed - Opened by gustavojra about 4 years ago
- 3 comments
Labels: documentation, enhancement
#40 - Using RHF as a guess to new RHF is broken
Issue -
State: closed - Opened by gustavojra about 4 years ago
- 2 comments
Labels: bug