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theochem
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ModelHamiltonian
Generate 1- and 2-electron integrals so that molecular quantum chemistry software can be used for model Hamiltonians.
https://modelh.qcdevs.org
GNU Lesser General Public License v3.0
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Final run
#142
RichRick1
closed
1 month ago
0
Fixed documentation of spin hamiltonians
#141
RichRick1
closed
1 month ago
0
Pariser parr
#140
giovanni-br
closed
1 month ago
0
Pariser parr
#139
giovanni-br
closed
1 month ago
1
Final run
#138
RichRick1
closed
1 month ago
5
Pariser parr
#137
giovanni-br
closed
1 month ago
0
Build gamma from PariserParr module
#136
RichRick1
closed
1 month ago
1
Introduce distance matrix
#135
RichRick1
closed
1 month ago
4
[pre-commit.ci] pre-commit autoupdate
#134
pre-commit-ci[bot]
closed
2 months ago
0
Testing Rauk part
#133
RichRick1
closed
1 month ago
7
t-J-U-V model
#132
giovanni-br
closed
2 months ago
1
[pre-commit.ci] pre-commit autoupdate
#131
pre-commit-ci[bot]
closed
2 months ago
0
t-J-U-V model
#130
RichRick1
closed
1 month ago
4
Pariser parr
#129
giovanni-br
closed
2 months ago
7
Fixing errors
#128
giovanni-br
closed
3 months ago
0
add comput_u function
#127
RichRick1
closed
3 months ago
1
Giovanni br issue 116 fix
#126
RichRick1
closed
3 months ago
0
Update links once more
#125
tovrstra
closed
3 months ago
1
Activate pre-commit on GitHub
#124
tovrstra
closed
2 months ago
5
Update links: theochem/guidelines -> theochem/.github
#123
tovrstra
closed
3 months ago
1
PariserParr Module
#122
giovanni-br
closed
3 months ago
0
add CI to PariserParr branch
#121
RichRick1
closed
3 months ago
0
Revert "Issue #116 Fixed"
#120
RichRick1
closed
3 months ago
0
Issue #116 Fixed
#119
giovanni-br
closed
3 months ago
0
Fixes #117: Cleaning rauk module
#118
giovanni-br
closed
3 months ago
0
CleanUp Rauk module
#117
RichRick1
closed
3 months ago
1
Pariser-Parr dictionary
#116
RichRick1
closed
2 months ago
5
Integrate rauk table and with the previous version of the code
#115
giovanni-br
closed
4 months ago
1
changed raw images to relative path
#114
RichRick1
closed
4 months ago
0
added html link
#113
RichRick1
closed
4 months ago
0
Tutorials
#112
RichRick1
closed
4 months ago
0
Save methods
#111
RichRick1
closed
5 months ago
0
Silence scipy sparsity warning
#110
RichRick1
closed
5 months ago
0
fix tomlib to toml
#109
RichRick1
closed
5 months ago
0
updated tutorial to reflect a new name of the website
#108
RichRick1
closed
5 months ago
0
update domain name
#107
RichRick1
closed
5 months ago
0
fix tomllib to toml
#106
sanchezw17
closed
5 months ago
0
Add smiles support to gut
#105
RichRick1
closed
5 months ago
0
Support for GUI
#104
adsrichards
closed
5 months ago
1
[pre-commit.ci] pre-commit autoupdate
#103
pre-commit-ci[bot]
closed
5 months ago
0
fix readme
#102
RichRick1
closed
5 months ago
0
Add installation instructions
#101
RichRick1
closed
5 months ago
0
update landing page
#100
RichRick1
closed
5 months ago
0
Change setup to pyproject
#99
marco-2023
closed
5 months ago
0
Fix 2d lattice
#98
RichRick1
closed
5 months ago
0
Fix deployment
#97
RichRick1
closed
5 months ago
0
updated tutorial
#96
RichRick1
closed
5 months ago
0
Add precommit in readme fix
#95
marco-2023
closed
5 months ago
2
Tutorials
#94
RichRick1
closed
5 months ago
0
Support for 2d and .mol file moltype
#93
adsrichards
closed
5 months ago
3
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