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aoterodelaroza
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critic2
Analysis of quantum chemical interactions in molecules and solids.
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STM current mode for Molecules
#72
AndresOrtegaGuerrero
opened
4 months ago
4
Wrapping behaviour of FLUXPRINT paths in a crystal
#71
srk
closed
2 months ago
0
Unknown extra keyword error
#70
Vahid999
closed
6 months ago
2
Add support for FPLO
#69
mretegan
closed
2 months ago
6
Finding bond critical points
#68
mretegan
closed
7 months ago
4
rhoplot.f90 stop make process
#67
alas-go
opened
7 months ago
4
NCI plot Isosurface color scheme
#66
shwetaphd
opened
9 months ago
0
f3temp has double defined complex and real
#65
LZengHui
closed
9 months ago
1
Negative values for the reduced density gradient
#64
pth-lab
closed
11 months ago
2
SMOOTHRHO option makes field value zero
#63
whzhangg
closed
1 year ago
1
QE 7.2: Voronoi charges sum roughly equal to Natoms/2
#62
tomdemeyere
closed
7 months ago
8
Unable to install critic2
#61
kpmp6
closed
1 year ago
1
error reading STO molden files
#60
masterofamn2
closed
1 year ago
5
Reason: Wannier and reference grids have different number of points
#59
netscape88
closed
1 year ago
1
critic2 : cp error for smoothrho
#58
zanat
closed
1 year ago
3
Installation issues
#57
PolyuWeldingSpock
closed
1 year ago
7
VMD visualization fails
#56
cisert
closed
1 year ago
2
Link to download example data is down
#55
cisert
closed
1 year ago
7
unable to build with cmake/ninja from 81dbc0fdb8646f90e1601f237e9eef8c8906cb8f on
#54
balducci
opened
2 years ago
2
Large residual charges in VDD method
#53
Andrew-S-Rosen
closed
2 years ago
4
Question about methods requiring promolecular density
#52
Andrew-S-Rosen
closed
2 years ago
10
Missing manual PDF
#51
Andrew-S-Rosen
closed
2 years ago
2
add topic quantum-chemistry
#50
Beliavsky
closed
2 years ago
1
Error using Make
#49
pies32
closed
2 years ago
4
Load crystal or molecule from file
#48
davidwaroquiers
closed
2 years ago
5
Definition scalar fields
#47
wutobias
closed
2 years ago
3
Stress tensor pointprop not in json output
#46
wutobias
closed
3 years ago
1
pointprops issue in json file
#45
wutobias
closed
3 years ago
7
Guix Package for Critic2: Request for Comments
#44
ecbrown
closed
3 years ago
3
fix a typo, so that "starting position (ang_)..." is printed correctly when FLUXPRINT
#43
balducci
closed
3 years ago
2
Redundant variable in struct_drivers@proc.f90
#42
ecbrown
closed
3 years ago
2
Compiler Check error in crystalmod
#41
ecbrown
closed
3 years ago
3
Don't include starting space chars into rootname
#40
balducci
closed
3 years ago
1
INTEGRALS subscript error
#39
ecbrown
closed
3 years ago
6
Associated Atomic Basin / Attractor Index
#38
ecbrown
closed
3 years ago
2
Compilation issue due to missing module
#37
franciscoadasme
closed
4 years ago
2
Missing comma in json file
#36
wutobias
closed
4 years ago
3
POINTPROP values in json output
#35
wutobias
closed
4 years ago
5
Restrict open computations not allowed
#34
mvfbarrionuevo
closed
4 years ago
6
Implemented ECON into critic2
#33
jweatherby123
closed
4 years ago
0
Missing bonds and an atom bonded to itself
#32
samblau
closed
2 years ago
15
Installation Issues
#31
misterblonde
closed
3 years ago
10
Line breaks in cp table.
#30
bjoe2k4
closed
4 years ago
1
Question regarding Morse Sum
#29
manaslkht
closed
3 years ago
5
Request for machine-readable output
#28
mkhorton
closed
3 years ago
18
Unable to generate configure file and configure file not working
#27
manaslkht
closed
5 years ago
2
solve the problem of different result of two yt integration
#26
Ceasea
closed
5 years ago
0
integration results differ within twice run
#25
Ceasea
closed
5 years ago
9
data incompatible from auto and cube grid
#24
Ceasea
closed
5 years ago
2
integrable clear not working
#23
Ceasea
closed
5 years ago
5
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