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compas
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grasp
General Relativistic Atomic Structure Package
https://compas.github.io/grasp/
MIT License
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rmcdhf_mpi's issue
#126
hyh2022
opened
1 month ago
0
Hi, a new problem:
#125
bingxin377
opened
1 month ago
0
Hi, a new problem:
#124
bingxin377
opened
1 month ago
0
Hi,
#123
bingxin377
opened
1 month ago
0
Iinstallation issues
#122
bingxin377
opened
2 months ago
0
Finite-size nucleus for small nuclei problematic for rnucleus
#121
jagot
opened
5 months ago
0
Radial grid parameters in rci
#120
tarjear
opened
5 months ago
0
CSF's issue
#119
zhaojingyan3
opened
6 months ago
0
rangular_mpi's issue
#118
zhaojingyan3
opened
6 months ago
0
JJ2LSJ'issue
#117
zhaojingyan3
opened
7 months ago
2
merge function in rcsfgenerate
#116
mzmansour
opened
7 months ago
0
Mismatch error in file grasp/src/lib/lib9290/iniest2
#115
amilton10
opened
7 months ago
2
rmcdhf,ASF serial numbers
#114
zhaojingyan3
opened
7 months ago
2
Compile src/lib/mpi90 issues with intel oneAPI ifort
#113
YenochQin
closed
8 months ago
3
Compile issues by gcc-13
#112
jinzhezhang020
closed
8 months ago
6
Changing the default grid parameters of the package.
#111
tarjear
opened
9 months ago
0
DOC: Update readme for rank mismatch
#110
HaoZeke
opened
11 months ago
1
Running the ris4 , rhfs and rhfszeeman packages takes a significant amount of time
#109
gordontk
opened
1 year ago
2
Uncertainty parameter dT wrongly defined
#108
s-rathi
closed
1 year ago
2
jjgen: "more than 20 subshells"
#107
JonnoDean
opened
1 year ago
0
rangular_mpi Eorror in '...': free(): invalid next size (fast):$
#106
JonnoDean
opened
1 year ago
2
rfinetune + jj2lsj_2022 update
#105
jongrumer
opened
1 year ago
0
rwfestimate90
#104
mzmansour
opened
1 year ago
0
SETPOT: Grid of insufficient extent
#103
mtabulo
opened
1 year ago
1
RCI contribution of H
#102
AnjaApp
opened
1 year ago
1
Changing parameters in the package
#101
mkkarlsen
opened
1 year ago
0
rmcdhf_mem meminfo on MacOS
#100
jongrumer
opened
1 year ago
1
rcsfinteract triple excitations
#99
mkkarlsen
opened
1 year ago
2
rmcdhf_mpi performance issue
#98
mkkarlsen
opened
1 year ago
3
Segmentation fault - invalid memory reference
#97
mkkarlsen
opened
1 year ago
0
Update rwfnrelabel.f90
#96
Yanting126
opened
1 year ago
0
rcsfinteract "Different order of Peel orbitals"
#95
mkkarlsen
opened
1 year ago
2
New tools and examples
#94
jongrumer
closed
1 year ago
4
New codes: RHFSZEEMAN95+RTRANSITION_PHASE
#93
jongrumer
closed
1 year ago
0
New code: RIS4
#92
jongrumer
closed
1 year ago
0
New code: RDENSITY
#91
jongrumer
closed
1 year ago
0
Adapted the Coupling code into the GRASP build structure
#90
jongrumer
closed
1 year ago
3
new rwfnestimate
#89
YenochQin
opened
1 year ago
2
rwfnestimate -- output <r> for each orbital
#88
Yanting126
closed
1 year ago
1
node counting threshold parameter
#87
cffischer
opened
2 years ago
0
Request for new features of rtabtrans1+rtabtrans2
#86
jongrumer
opened
2 years ago
0
rtabtransE1 - new mode (Grumer)
#85
jongrumer
closed
1 year ago
0
rmixextract -- new extraction mode (Gaigalas)
#84
jongrumer
closed
1 year ago
0
rmixextract -- serious big fix (Gaigalas)
#83
jongrumer
closed
2 years ago
6
rwfntotxt + rwfnpyplot -- new plotting tools (Grumer)
#82
jongrumer
closed
2 years ago
0
rcsfgenerate -- revision to allow for n > 9 CSFs in MR
#81
jongrumer
closed
2 years ago
3
add topic quantum-chemistry
#80
Beliavsky
closed
2 years ago
1
rmcdhf -- in-memory versions
#79
jongrumer
closed
2 years ago
1
setmcp: nblock=0 issue when running rmcdhf_mpi on HPC cluster
#78
momierr
closed
2 years ago
6
Fix argument mismatches in the code base
#77
mortenpi
opened
2 years ago
0
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