issues
search
aoterodelaroza
/
critic2
Analysis of quantum chemical interactions in molecules and solids.
Other
97
stars
35
forks
source link
issues
Newest
Newest
Most commented
Recently updated
Oldest
Least commented
Least recently updated
STM current mode for Molecules
#72
AndresOrtegaGuerrero
opened
2 months ago
4
Wrapping behaviour of FLUXPRINT paths in a crystal
#71
srk
closed
3 weeks ago
0
Unknown extra keyword error
#70
Vahid999
closed
4 months ago
2
Add support for FPLO
#69
mretegan
closed
3 weeks ago
6
Finding bond critical points
#68
mretegan
closed
5 months ago
4
rhoplot.f90 stop make process
#67
alas-go
opened
6 months ago
4
NCI plot Isosurface color scheme
#66
shwetaphd
opened
7 months ago
0
f3temp has double defined complex and real
#65
LZengHui
closed
7 months ago
1
Negative values for the reduced density gradient
#64
pth-lab
closed
10 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
6 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
1 year 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
3 years ago
2
Missing comma in json file
#36
wutobias
closed
3 years ago
3
POINTPROP values in json output
#35
wutobias
closed
3 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
4 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
Next