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SINGROUP
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pycp2k
Python Cp2k interface
GNU Lesser General Public License v3.0
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Motion model can't be called
#22
well-zt
closed
3 months ago
1
json/yaml support
#21
PythonFZ
closed
1 year ago
1
License clarification: Wrong license in setup.py and on pypi
#20
timostrunk
opened
2 years ago
0
Update inputparser.py to handle blank "default" NAME
#19
waveman68
closed
2 years ago
0
Exception for Empty Keywords
#18
waveman68
closed
2 years ago
1
some new keywords have [ and ] in the name
#17
setten
closed
2 years ago
0
problems with exchange correlation functional classes in 8.2
#16
setten
closed
2 years ago
2
problem in manual install from cp2k 8.2 xml file
#15
setten
opened
2 years ago
4
add new keywords after cp2k 7.1
#14
robinzyb
closed
2 years ago
0
Long lines in input files
#13
ondrejkrejci
closed
2 years ago
5
xTB parameter in DFT.QS section
#12
xiki-tempula
closed
2 years ago
2
Support reading molecule through MDAnalysis?
#11
xiki-tempula
opened
3 years ago
2
Additional FORCE_EVAL parameters not being added to the input
#10
SamTov
closed
3 years ago
2
CalledProcessError: Command 'cp2k.popt -v ' returned non-zero exit status 127.
#9
Ruskinkot1
closed
3 years ago
1
How to use parse?
#8
Greenlobby
closed
4 years ago
2
I have three problems that need your help urgently!!!!!
#7
Greenlobby
closed
4 years ago
2
Pls help!!! what is wrong with pycp2k run
#6
Greenlobby
closed
4 years ago
2
default installation for pip
#5
marchunter
closed
5 years ago
0
Multiple Basis Set File Names
#4
cpashartis
closed
5 years ago
5
Version check always fails for Python3
#3
irisTa56
closed
6 years ago
1
Suggestion for syntax check
#2
burbanom
closed
7 years ago
1
get_forces() function
#1
burbanom
closed
8 years ago
2