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MRChemSoft
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vampyr
Very Accurate Multiresolution Python Routines
https://vampyr.readthedocs.io
GNU Lesser General Public License v3.0
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One corner
#117
edinvay
opened
1 month ago
1
Installation instructions for Vampyr
#116
Gabrielgerez
opened
5 months ago
0
Refactor derivative operator creation with factory function
#115
bjorgve
closed
7 months ago
2
Preparing v1.0rc1
#114
stigrj
closed
11 months ago
1
Time evolution binding
#113
edinvay
closed
11 months ago
2
Remove repetition from `index.rst`
#112
Gabrielgerez
closed
1 year ago
1
Remove repetition from `index.rst`
#111
Gabrielgerez
closed
1 year ago
0
Add instructions above executable cells
#110
Gabrielgerez
closed
1 year ago
1
Documentation
#109
robertodr
closed
1 year ago
2
Attempt fix of RTD build
#108
robertodr
closed
1 year ago
2
better solvent notebook
#107
Gabrielgerez
closed
1 year ago
4
Solvent notebooks
#106
Gabrielgerez
closed
1 year ago
2
Haar missing implementations
#105
edinvay
opened
1 year ago
0
Moved dunders to impl__ implementation in trees
#104
bjorgve
closed
1 year ago
3
Update pybind so it works with newer python versions
#103
bjorgve
closed
1 year ago
1
__add__ and __iadd__
#102
robertodr
closed
1 year ago
3
Loss of precision with `+=`
#101
ilfreddy
opened
1 year ago
11
Add quadrature to MWNode and FunctionTree
#100
bjorgve
closed
1 year ago
5
Update readme
#99
bjorgve
closed
1 year ago
3
CartesianConvolution
#98
stigrj
closed
1 year ago
1
Add ZeroTree ctor and return self on setZero and normalize
#97
stigrj
closed
1 year ago
0
Documentation
#96
bjorgve
closed
1 year ago
2
Add hydrogen and helium example for the documentation
#95
bjorgve
opened
1 year ago
0
To do Magnar
#94
bjorgve
opened
1 year ago
1
Some CI improvements
#93
robertodr
closed
1 year ago
2
Ditch Python 3.7 and include 3.11
#92
robertodr
closed
1 year ago
2
Link stdc++fs explicitly also for Intel compilers
#91
robertodr
closed
1 year ago
1
Link to `stdc++fs` on GCC<9.1 and LLVM<9.0
#90
robertodr
closed
1 year ago
1
Require newer gnu g++ compiler
#89
bjorgve
closed
1 year ago
0
Update `conf.py`
#88
robertodr
closed
1 year ago
1
separate enviroment for conda install and binder
#87
bjorgve
closed
1 year ago
1
Add solvent notebook to docs
#86
Gabrielgerez
closed
1 year ago
2
VAMPyR doesn't work with MRCPP 1.4.1 installed from conda
#85
bjorgve
closed
1 year ago
0
Begin work on documentation
#84
bjorgve
closed
1 year ago
5
MPI VAMPyR
#83
robertodr
opened
2 years ago
0
Add pre-commit hooks and reformat codebase
#82
robertodr
closed
2 years ago
1
Pip editable installations
#81
robertodr
closed
2 years ago
3
Remember to fix the missing getBuildPrec() from MRCPP
#80
stigrj
closed
1 year ago
0
Add zenodo badge
#79
stigrj
closed
2 years ago
1
Features for paper
#78
bjorgve
opened
2 years ago
0
add dot of two vectors
#77
Gabrielgerez
closed
2 years ago
2
cannot access dot product between two vectors in new vampyr
#76
Gabrielgerez
closed
2 years ago
3
Cherry-pick path fix from master
#75
stigrj
closed
3 years ago
2
Bugfix remove excess lib and edit relative paths
#74
bjorgve
closed
3 years ago
4
Bump next expected version
#73
stigrj
closed
3 years ago
1
Prepare v0.2rc0
#72
stigrj
closed
3 years ago
0
Make CTest runnable without setting PYTHONPATH
#71
robertodr
closed
3 years ago
1
Center and bounds
#70
bjorgve
closed
3 years ago
2
Update installation instructions
#69
stigrj
closed
3 years ago
1
Fix zenodo.yml to show all contributors in citation
#68
stigrj
closed
3 years ago
1
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