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steabert
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molpy
Molcas wavefunction assistent
GNU General Public License v2.0
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Molden file generated from a H5 file
#16
ethan0879
opened
4 years ago
1
Cartesian basis functions
#15
Jellby
opened
6 years ago
0
Problem with RasOrb file
#14
ghost
opened
7 years ago
0
Interface to WFA Molcas
#13
felixplasser
closed
7 years ago
1
SyntaxError in penny
#12
Jellby
closed
8 years ago
5
move AO overlap/fockint to basis set class
#11
steabert
closed
8 years ago
0
g functions in molden format
#10
Jellby
closed
8 years ago
1
Molden files with UHF alpha+beta orbitals do not get read correctly
#9
steabert
closed
8 years ago
0
Primitives with zero exponent
#8
felixplasser
closed
8 years ago
1
Molden conversion with symmetry
#7
felixplasser
closed
8 years ago
2
[Molden Format]
#6
felixplasser
closed
8 years ago
1
Error with Molden file
#5
felixplasser
closed
8 years ago
0
Spin densities?
#4
Jellby
closed
8 years ago
1
Shebang line
#3
Jellby
closed
8 years ago
0
libmsym integration
#2
mcodev31
closed
8 years ago
0
Feature request: reorder atoms
#1
Jellby
opened
8 years ago
13