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RMGDFT
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rmgdft
RMG is an Open Source code for electronic structure calculations and modeling of materials and molecules. It is based on density functional theory and uses a real space basis and pseudopotentials.
GNU General Public License v2.0
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Grimme vad de Waals correction?
#44
WenchangLu
closed
4 years ago
2
Noncolliner
#43
WenchangLu
closed
5 years ago
0
fix bug in NEB relax
#42
zhongcanxiao
closed
5 years ago
0
How to configure builtin scalapack compilation
#41
ketancmaheshwari
closed
2 years ago
7
Are there plans to implement the stress tensor?
#40
prckent
closed
1 year ago
10
MKL
#39
jjakowski
closed
2 years ago
8
RMG_GUI
#38
jjakowski
closed
5 years ago
1
time step
#37
jjakowski
closed
5 years ago
1
NEB optimization
#36
WenchangLu
closed
5 years ago
1
Including dispersion
#35
sbisbill
closed
4 years ago
2
Folded spectrum code breaks compilation
#34
prckent
closed
5 years ago
1
RMG / QMCPQCK interface tests
#33
WenchangLu
closed
1 year ago
1
Obtain git info from source directory
#32
prckent
closed
5 years ago
0
Fortran dependencies in RMG?
#31
prckent
closed
1 year ago
2
Unable to build on Summit
#30
prckent
closed
5 years ago
7
Pseudopotential with linear grids does not work
#29
WenchangLu
closed
5 years ago
1
localized orbital => QMCPACK converter
#28
WenchangLu
closed
1 year ago
0
spin orbit coupling
#27
WenchangLu
closed
1 year ago
2
semi-local pseudopotential implementation
#26
WenchangLu
closed
2 years ago
1
exact exchange and hybrid functional
#25
WenchangLu
closed
1 year ago
5
Atomic position output file formats
#24
elbriggs
closed
1 year ago
1
Compiling RMG Ubuntu 18.04.3
#23
jcklasseter
closed
5 years ago
1
Store USPP augmentation charges in single precision or compressed format
#22
elbriggs
closed
4 years ago
2
Support for additional lattice types
#21
elbriggs
closed
1 year ago
3
GUI does not generate correct grids for hexagonal lattice
#20
WenchangLu
closed
1 year ago
1
Localized orbitals layout: projected on 3D domain
#19
WenchangLu
closed
1 year ago
0
implement LDA+U for RMG-ON branch
#18
WenchangLu
closed
5 years ago
1
Automatic setup of grid coalescing
#17
elbriggs
closed
1 year ago
1
Unify error, warning and notice handling for all modules.
#16
elbriggs
opened
5 years ago
0
Running RMG on Summit at ORNL
#15
elbriggs
closed
1 year ago
0
Merge command line options with input files
#14
elbriggs
closed
1 year ago
0
Building RMG on cades at ORNL
#13
elbriggs
closed
1 year ago
2
RMG to QMC converter
#12
elbriggs
closed
1 year ago
2
build error
#11
ketancmaheshwari
closed
5 years ago
4
Building RMG on summit at ORNL
#10
elbriggs
closed
1 year ago
7
Spack implementation
#9
elbriggs
closed
2 years ago
1
Building RMG on comet at SDSC
#8
elbriggs
closed
1 year ago
4
MVAPICH issues on comet at SDSC
#7
elbriggs
closed
1 year ago
0
Update examples for Version 4
#6
elbriggs
closed
4 years ago
1
Add support for localized atomic orbital projectors for use in LDA+U
#5
elbriggs
closed
1 year ago
0
Allow lattice vectors to be specified in Cartesians
#4
prckent
closed
5 years ago
1
Add a feature that prints out a list of all options when --help is passed on the command line.
#3
elbriggs
closed
1 year ago
8
spglib does not work correctly for hexagonal symmetry
#2
elbriggs
closed
5 years ago
3
LDA+U does not work for ultrasoft pseudopotentials
#1
elbriggs
closed
1 year ago
1
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