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Konjkov
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molden2qmc
molden to Casino input converter
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#15
edoapra
closed
1 year ago
0
math.fabs(number) will always return a floating-point number even if …
#14
Konjkov
closed
2 years ago
0
Qmcpack
#13
anbenali
closed
2 years ago
0
No such file or directory: 'test/N4/ORCA4/UHF/SVP/N4.molden.input'
#12
TApplencourt
opened
4 years ago
1
contribution to NWChem overview paper
#11
edoapra
closed
4 years ago
2
add nalpha & nbeta electrons
#10
Konjkov
closed
4 years ago
0
Getting number of alpha electrons and Beta electrons in the case of unrestricted calculations
#9
anbenali
closed
4 years ago
2
test_molden2qmc: Solve issue with new version of numpy
#8
TApplencourt
closed
4 years ago
1
merge master to casl
#7
Konjkov
closed
5 years ago
0
add QCHEM multideterminant support
#6
Konjkov
closed
6 years ago
0
Qchem multireference
#5
Konjkov
closed
6 years ago
0
Orca mutireference
#4
Konjkov
closed
6 years ago
0
SP orbitals
#3
Konjkov
closed
6 years ago
0
Feature/command line args
#2
ghost
closed
7 years ago
0
Qchem
#1
Konjkov
closed
7 years ago
0