NLESC-JCER QMCTorch issues

NLESC-JCER / QMCTorch

Pytorch Implementation of Real Space Quantum Monte Carlo Simulations of Molecular Systems

https://qmctorch.readthedocs.io/

Apache License 2.0

23 stars 2 forks source link

issues

Newest

Newest Most commented Recently updated Oldest Least commented Least recently updated

Error : Nan detected in local energy

#169 f-fathurrahman opened 3 months ago
0
Issue167

#168 NicoRenaud closed 6 months ago
0
Infinite Norm with scipy 1.11

#167 NicoRenaud closed 6 months ago
1
reformat black

#166 NicoRenaud closed 7 months ago
0
Development

#165 NicoRenaud opened 7 months ago
0
Merge main in dev

#164 NicoRenaud closed 7 months ago
0
Unify slaterjastrow

#163 NicoRenaud closed 7 months ago
0
Merge Development into Main

#162 NicoRenaud closed 7 months ago
0
Development

#161 NicoRenaud closed 7 months ago
0
Speed up determinants calculations

#160 NicoRenaud opened 7 months ago
0
Atomic Orbitals above d-orbitals

#159 NicoRenaud opened 7 months ago
0
Update paper.md

#158 NicoRenaud closed 7 months ago
0
Fix DOI

#157 NicoRenaud closed 7 months ago
0
Review tony

#156 NicoRenaud closed 7 months ago
0
cast to int

#155 NicoRenaud closed 7 months ago
0
Type error when running one of the tutorials

#154 tonnylou44853 closed 7 months ago
2
bumped action version

#153 NicoRenaud closed 8 months ago
0
added rtdyaml

#152 NicoRenaud closed 8 months ago
0
Issue150 dimensions

#151 NicoRenaud closed 8 months ago
0
Inconsistent dimensons

#150 scemama closed 8 months ago
1
Dead link to the doc

#149 scemama closed 8 months ago
5
fix anthony

#148 NicoRenaud closed 10 months ago
0
fix conversion

#147 NicoRenaud closed 10 months ago
0
SCF energy of water

#146 scemama closed 10 months ago
1
Review JOSS

#145 scemama closed 7 months ago
8
Update paper.md

#144 NicoRenaud closed 1 year ago
0
replace codacy badge

#143 NicoRenaud closed 8 months ago
0
Adf2023 calc

#142 NicoRenaud closed 1 year ago
0
Paper

#141 NicoRenaud closed 1 year ago
0
Fix master 23

#140 NicoRenaud closed 1 year ago
0
FIX MASTER QMCTORCH

#139 NicoRenaud closed 1 year ago
0
integer

#138 Luuk-Renden closed 7 months ago
1
gvmhjgfghk

#137 Luuk-Renden closed 1 year ago
0
added possiblity to have odd number of elec

#136 NicoRenaud closed 2 years ago
0
Lean sampler

#135 NicoRenaud closed 2 years ago
0
Unify slaterjastrow

#134 NicoRenaud closed 2 years ago
0
Mpi4py optional

#133 NicoRenaud closed 2 years ago
0
Fully connected Network Jastrow

#132 NicoRenaud closed 1 year ago
0
Graph jastrow

#131 NicoRenaud closed 7 months ago
1
Gpu tunning

#130 NicoRenaud closed 7 months ago
1
make mpi4py/pyscf optional to run on windows

#129 NicoRenaud closed 1 year ago
0
Replace torch DataLoader by a custom simple DataLoader

#128 NicoRenaud closed 2 years ago
1
Data Loader is super slow and useless

#127 NicoRenaud closed 1 year ago
0
FFT correlation coefficient

#126 matthijsdewit111 closed 3 years ago
0
Development

#125 NicoRenaud closed 3 years ago
0
test

#124 NicoRenaud closed 3 years ago
0
PyQuante2 Backend

#123 NicoRenaud opened 3 years ago
1
Mpi4py optional

#122 NicoRenaud closed 3 years ago
0
introduced logspace sampling

#121 NicoRenaud closed 3 years ago
0
change batching stragegy

#120 NicoRenaud closed 3 years ago
0