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theochem
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denspart
Atoms-in-molecules density partitioning schemes based on stockholder recipe
GNU General Public License v3.0
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[pre-commit.ci] pre-commit autoupdate
#31
pre-commit-ci[bot]
opened
1 month ago
0
[pre-commit.ci] pre-commit autoupdate
#30
pre-commit-ci[bot]
closed
1 month ago
0
Disable debugging settings
#29
tovrstra
closed
1 month ago
2
underflow encountered in exp
#28
lucienwb
closed
1 month ago
2
[pre-commit.ci] pre-commit autoupdate
#27
pre-commit-ci[bot]
closed
1 month ago
0
[pre-commit.ci] pre-commit autoupdate
#26
pre-commit-ci[bot]
closed
2 months ago
0
[pre-commit.ci] pre-commit autoupdate
#25
pre-commit-ci[bot]
closed
2 months ago
0
[pre-commit.ci] pre-commit autoupdate
#24
pre-commit-ci[bot]
closed
2 months ago
0
[pre-commit.ci] pre-commit autoupdate
#23
pre-commit-ci[bot]
closed
3 months ago
0
[pre-commit.ci] pre-commit autoupdate
#22
pre-commit-ci[bot]
closed
3 months ago
0
[pre-commit.ci] pre-commit autoupdate
#21
pre-commit-ci[bot]
closed
3 months ago
1
Bump actions/setup-python from 4 to 5
#20
dependabot[bot]
closed
7 months ago
0
how to make MBIS work with def2-ECP?
#19
wenyan4work
opened
1 year ago
1
[pre-commit.ci] pre-commit autoupdate
#18
pre-commit-ci[bot]
closed
7 months ago
1
Bump actions/checkout from 3 to 4
#17
dependabot[bot]
closed
1 year ago
0
[pre-commit.ci] pre-commit autoupdate
#16
pre-commit-ci[bot]
closed
1 year ago
0
MBIS charges from fchk
#15
khuddzu
opened
1 year ago
28
[pre-commit.ci] pre-commit autoupdate
#14
pre-commit-ci[bot]
closed
1 year ago
1
[pre-commit.ci] pre-commit autoupdate
#13
pre-commit-ci[bot]
closed
1 year ago
0
add GISA method
#12
yingxingcheng
closed
1 year ago
0
Explicitly adding a constraint does not work
#11
yingxingcheng
closed
1 year ago
12
The definition of cutoff radius of density
#10
yingxingcheng
opened
1 year ago
5
[pre-commit.ci] pre-commit autoupdate
#9
pre-commit-ci[bot]
closed
1 year ago
0
Create main.yml
#8
tovrstra
closed
1 year ago
0
Need to add Gaussian adapter.
#7
PaulWAyers
closed
1 year ago
3
Fix wrong package referenced in README
#6
kzinovjev
closed
1 year ago
1
Update BeckeTF class from grid
#5
lmacaya
closed
2 years ago
1
Analysis of cube files
#4
vladislavivanistsev
opened
2 years ago
2
sj keyword in GPAW
#3
vladislavivanistsev
opened
2 years ago
1
Support for GPAW files
#2
rubengoeminne
closed
3 years ago
1
Create LICENSE
#1
FarnazH
closed
5 years ago
0