Ecosyste.ms: Issues
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GitHub / kzfm/pygamess issues and pull requests
#16 - Basis sets
Issue -
State: closed - Opened by spalgit over 1 year ago
- 1 comment
#15 - EOMCCSD overestimates the first excitation energy of Styrene
Issue -
State: closed - Opened by xiongyan21 almost 2 years ago
- 20 comments
#14 - Which frequency analysis in THz domain of NH3 is more reliable, CCSD(T) or MP2
Issue -
State: closed - Opened by xiongyan21 almost 2 years ago
- 1 comment
#13 - UnicodeDecodeError on pip install
Issue -
State: open - Opened by kmsherbert about 3 years ago
Labels: bug
#12 - Determine if the process ended normally.
Issue -
State: closed - Opened by kzfm about 3 years ago
Labels: bug
#11 - Windows compatibility update
Pull Request -
State: closed - Opened by kmsherbert about 3 years ago
#10 - DDIKick
Issue -
State: open - Opened by timhockswender about 3 years ago
- 9 comments
Labels: bug
#9 - Include UV data in sdf
Issue -
State: closed - Opened by kzfm over 3 years ago
Labels: bug
#8 - Support hessend
Issue -
State: closed - Opened by kzfm over 3 years ago
Labels: enhancement
#7 - Storing NSERCH
Issue -
State: closed - Opened by kzfm over 3 years ago
Labels: enhancement
#6 - Add calculation condition into GamessOut object
Issue -
State: closed - Opened by kzfm over 3 years ago
Labels: enhancement
#5 - Override options when creating objects
Issue -
State: closed - Opened by kzfm over 3 years ago
Labels: enhancement
#4 - Support 6-31+G(d, p)
Issue -
State: closed - Opened by kzfm over 3 years ago
Labels: enhancement
#3 - Support HOSTLIST for GAMESS
Issue -
State: open - Opened by kzfm over 3 years ago
Labels: enhancement
#2 - Support TD-DFT
Issue -
State: closed - Opened by kzfm over 3 years ago
Labels: enhancement
#1 - Python 3 porting, pre-made input file and e-mail sending on terminations
Pull Request -
State: closed - Opened by Lucioric2000 about 4 years ago
- 3 comments