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jam31118
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rigged-qprop
qprop equipped with small toolset
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Implementing PPP in C++ as an extension of `qprop`
#71
jam31118
closed
5 years ago
1
Use enumeration in `combine_tsurff_data.sh`
#70
jam31118
opened
6 years ago
0
Numerically check whether probability flux towards bigger radius is always positive even after the propagation has been done long enough
#69
jam31118
opened
6 years ago
0
Implement python interface to manage multiple calculation easily
#68
jam31118
opened
6 years ago
0
The ionization yield may be calculated from probability flux at R or else
#67
jam31118
opened
6 years ago
0
Implement (python) script to easily change the value of a parameter
#66
jam31118
opened
6 years ago
0
Implement scripts for querying current jobs at a single node
#65
jam31118
opened
6 years ago
1
Implement common configuration file for shell script that can be sourced
#64
jam31118
opened
6 years ago
0
Upgrade README
#63
jam31118
opened
6 years ago
0
Append mode in t-SURFF calculation
#62
jam31118
opened
6 years ago
0
Implement parallel-post-propagation starting from already propagated state function file and related data
#61
jam31118
opened
6 years ago
0
The validity of proper `p-min-tsurff` parameter by monitoring probability flux at R
#60
jam31118
opened
6 years ago
0
Add instruction for how to use pywrapper when constructing parameter files set and its calculation directory
#59
jam31118
opened
6 years ago
0
Add some more examples (parameter files set)
#58
jam31118
opened
6 years ago
0
Implement C++ routine for generating `imagpot` and `staticpot` values along radial grids
#57
jam31118
opened
6 years ago
1
Spread-Sheet-like user interface
#56
jam31118
opened
6 years ago
1
The photoelectric momentum spectra doesn't seem to be correct with `beyond-R` parameter
#55
jam31118
opened
6 years ago
0
Define default values of each parameter in a separate source file
#54
jam31118
opened
6 years ago
2
Let the SLURM batch script set sending a mail in case of `error`
#53
jam31118
opened
6 years ago
0
Auto-detect the required memory and auto-allocate through the batch script
#52
jam31118
opened
6 years ago
0
Implement calculating energy for the given state function file
#51
jam31118
opened
6 years ago
0
Add a test suite for checking proper reproducing of ground state energy
#50
jam31118
opened
6 years ago
0
Let user write a local script (*.local) to compile with system-specific options
#49
jam31118
closed
6 years ago
1
The construction of the grid in imag-prop and real-prop should be assured to be same
#48
jam31118
opened
6 years ago
0
Save the norm of the state function to a file if told to do so
#47
jam31118
opened
6 years ago
0
Write and add basic visualization script using `visual-qprop` at the end of each job submission script
#46
jam31118
opened
6 years ago
0
Make a documentation using reStructuredText (possibly supported by Sphinx)
#45
jam31118
opened
6 years ago
0
Write a total SLURM batch script using dependency syntax
#44
jam31118
opened
6 years ago
1
Append a command, running a script combining mpi-tsurff data files
#43
jam31118
closed
6 years ago
1
Implement batch script for SLURM
#42
jam31118
closed
6 years ago
2
Use common shell function (as a template) for imag and real and possibly also eval-tsurff
#41
jam31118
closed
6 years ago
1
Add color on ERROR and OK sign for shell scripts
#40
jam31118
closed
6 years ago
2
Fix Illegal Instruction Error
#39
jam31118
closed
6 years ago
1
Add writing API for parameters in parameter files
#38
jam31118
opened
6 years ago
0
Implement vector potential previewer (or plotter) to confirm a correct synthesis of a vector potential
#37
jam31118
opened
6 years ago
0
Auto Generation of parameter files
#36
jam31118
opened
6 years ago
0
Let the user choose the photoelectric momentum grid more flexibly for efficiency
#35
jam31118
opened
6 years ago
0
Upload python wrapper to PyPI
#34
jam31118
opened
6 years ago
0
Using python wrapper for calculations of several parameter sets simultaneously with MPI
#33
jam31118
opened
6 years ago
0
In openmpi 3.1, the 12 threads doesn't seems to be recognized.
#32
jam31118
opened
6 years ago
0
Error during `attoclock` example due to processing vecpot-related parameters
#31
jam31118
closed
6 years ago
1
Try to make installation procedure more simple in terms of setting env variable etc.
#30
jam31118
opened
6 years ago
0
Upgrade to higher version of `openmpi`
#29
jam31118
closed
6 years ago
1
Check through wget whether the source code is available on web, before install dependency
#28
jam31118
closed
6 years ago
1
Let user be able to interrupt program using SIGINT etc.
#27
jam31118
opened
6 years ago
1
Modify code to remove warnings such as `unused variables` etc.
#26
jam31118
opened
6 years ago
1
Fix `multiple definition` error when developing python wrapper
#25
jam31118
closed
6 years ago
1
Append (not recreate) *.raw file when propagating further based on current-wf.bin
#24
jam31118
opened
6 years ago
0
Associate a timestep index to 'current-wf.bin' to enhance program reliability
#23
jam31118
opened
6 years ago
0
Add instruction for compiling MPI binary in MPCDF cluster
#22
jam31118
opened
6 years ago
0
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