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GQCG-edu
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bootcamp
The Bootcamp of the Ghent Quantum Chemistry Group, aimed at achieving the initial competences needed in order to be able to contribute to our electronic structure method development group.
GNU General Public License v3.0
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Update theory section in electron density notebook
#59
emielvb
opened
1 month ago
0
Feature/electron density visualisation
#58
emielvb
closed
1 month ago
0
start integrals
#57
YarnoDJ2409
closed
7 months ago
0
feature-LaTeX part bootcamp
#56
YarnoDJ2409
closed
1 month ago
0
Latex aanpassing
#55
YarnoDJ2409
opened
8 months ago
1
adding tutorial on visualization with cube files
#54
ruvdrsti
closed
1 month ago
1
Update hpc instructions
#53
emielvb
closed
7 months ago
0
Psi4 Singularity image
#52
emielvb
opened
1 year ago
1
Bugfix: singularity instructions.
#51
guacke
closed
1 year ago
1
Update Singularity to Apptainer
#50
guacke
opened
1 year ago
0
Suggestions from @RobbeBohy
#49
xdvriend
closed
1 year ago
0
Modify rhf.ipynb theory to include orthogonalisation scheme
#48
emielvb
closed
1 year ago
0
Unix Shell lectures before Git lectures
#47
RobbeBohy
closed
1 year ago
0
Symbol should be zeta instead of xi
#46
RobbeBohy
closed
1 year ago
0
Docker installation issues
#45
RobbeBohy
closed
1 year ago
0
Remove reference to orthonormal AO basis
#44
emielvb
closed
1 year ago
0
Update local.md with extra info for windows users, edit RHF notebook theory.
#43
emielvb
closed
1 year ago
1
Add files via upload
#42
wolf-landuyt
closed
1 year ago
0
Add support for singularity.
#41
guacke
closed
2 years ago
0
Refactor: full online support for bootcamp
#40
guacke
closed
2 years ago
0
First part of PySCF tutorial.
#39
guacke
closed
2 years ago
0
Add info on HPC
#38
guacke
closed
2 years ago
0
Fix libssl dependency Live Share.
#37
guacke
closed
2 years ago
0
Debug: check why Docker image is not building.
#36
guacke
closed
2 years ago
1
Refactor for public
#35
guacke
closed
2 years ago
0
Merge to master. Only keep master.
#34
guacke
closed
2 years ago
0
HPC refactor: Dockerhub image and update docs.
#33
guacke
closed
3 years ago
0
PR with Issue #31
#32
ruvdrsti
closed
3 years ago
7
running notebooks on the HPC for windows
#31
ruvdrsti
closed
3 years ago
3
xwieme: Installing software with Docker containers
#30
xwieme
closed
3 years ago
1
Added xwieme to WALL_OF_FAME
#29
xwieme
closed
2 years ago
0
ruvdrsti: Adding Ruben to Wall of Fame
#28
ruvdrsti
closed
3 years ago
2
From home
#27
ruvdrsti
closed
3 years ago
1
ruvdrsti: python collab progress update
#26
ruvdrsti
closed
3 years ago
1
xwieme: Getting in command with the VSCode editor
#25
xwieme
closed
3 years ago
3
xwieme: python colab progress
#24
xwieme
closed
3 years ago
1
Add files via upload
#23
ruvdrsti
closed
3 years ago
0
ruvdrsti: Python Colab progress
#22
ruvdrsti
closed
3 years ago
1
xwieme: LaTeX progress
#21
xwieme
closed
3 years ago
4
ruvdrsti LaTeX progress
#20
ruvdrsti
closed
3 years ago
5
Added Michael to Wall of Fame
#19
xdvriend
closed
3 years ago
0
MFatjano: Project 1
#18
MFatjano
closed
3 years ago
1
MFatjano
#17
MFatjano
closed
4 years ago
0
First pull request for project 1 (task 1,2 and 3)
#16
MFatjano
closed
3 years ago
4
MFatjano: Installing software with Docker containers
#15
MFatjano
closed
4 years ago
3
MFatjanov: Issue at 'Enhanced collaboration with version control and Git'
#14
MFatjano
closed
4 years ago
4
MFatjanov: VSCode terminal
#13
MFatjano
closed
4 years ago
2
MFatjano: Python Colab progress
#12
MFatjano
closed
3 years ago
7
MFatjano: LaTeX progress
#11
MFatjano
closed
4 years ago
4
GQCP in docker environment?
#10
xdvriend
closed
2 years ago
1
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