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kzfm
/
pygamess
GAMESS wrapper for Python
http://blog.kzfmix.com
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Basis sets
#16
spalgit
closed
1 year ago
1
EOMCCSD overestimates the first excitation energy of Styrene
#15
xiongyan21
closed
1 year ago
20
Which frequency analysis in THz domain of NH3 is more reliable, CCSD(T) or MP2
#14
xiongyan21
closed
1 year ago
1
UnicodeDecodeError on pip install
#13
kmsherbert
opened
3 years ago
0
Determine if the process ended normally.
#12
kzfm
closed
3 years ago
0
Windows compatibility update
#11
kmsherbert
closed
3 years ago
0
DDIKick
#10
timhockswender
opened
3 years ago
9
Include UV data in sdf
#9
kzfm
closed
3 years ago
0
Support hessend
#8
kzfm
closed
3 years ago
0
Storing NSERCH
#7
kzfm
closed
3 years ago
0
Add calculation condition into GamessOut object
#6
kzfm
closed
3 years ago
0
Override options when creating objects
#5
kzfm
closed
3 years ago
0
Support 6-31+G(d, p)
#4
kzfm
closed
3 years ago
0
Support HOSTLIST for GAMESS
#3
kzfm
opened
3 years ago
0
Support TD-DFT
#2
kzfm
closed
3 years ago
0
Python 3 porting, pre-made input file and e-mail sending on terminations
#1
Lucioric2000
closed
4 years ago
3