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CPMD-code
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CPMD
The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.
MIT License
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Print out literature references when Libxc is used
#21
susilehtola
opened
9 months ago
0
DOES ANYONE HAVE THE PSEUDO POTENTIAL IODINE martin troullier PBE for CPMD ?
#20
yagolopes2302
opened
1 year ago
1
DOES ANYONE HAVE THE PSEUDO POTENTIAL IODINE martin troullier PBE ?
#19
yagolopes2302
opened
1 year ago
0
Do I need a commercial license
#18
huilic
opened
1 year ago
0
Important announcement: New github project
#17
kloeffelt
opened
1 year ago
2
Second community meeting
#16
kloeffelt
opened
1 year ago
0
CPMD 4.4 installation issue
#15
gayatripanda5
opened
1 year ago
1
CPMD installation issue
#14
gayatripanda5
opened
1 year ago
3
Non-standard continuation characters
#13
ThemosTsikas
opened
1 year ago
1
License for previous versions of CPMD
#12
jjlow
opened
1 year ago
4
Editing Makefile
#11
zimb3l-priv
opened
1 year ago
2
Installation on cluster
#10
zimb3l-priv
closed
1 year ago
0
Add interface to MiMiC
#9
foeroyingur
opened
1 year ago
4
Access to cpmd2cube.x
#8
DeepChoudhuri
closed
1 year ago
1
CPMD Developer Community meeting
#7
kloeffelt
opened
1 year ago
4
Add possibility to use CMake to build
#6
foeroyingur
opened
1 year ago
4
Setup continuous integration testing
#5
foeroyingur
opened
1 year ago
0
Update configure.sh
#4
foeroyingur
closed
1 year ago
5
set x bits for configure.sh
#3
g-mathias
closed
1 year ago
1
CPMD cluster installation issue - help needed
#2
DeepChoudhuri
closed
1 year ago
2
Compilation error
#1
DeepChoudhuri
closed
1 year ago
4