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Analyzed 12 months ago. based on code collected 12 months ago.

Commit Message	Contributor	Files Modified	Lines Added	Lines Removed	Code Location	Date
Jan 16, 2023 — Jan 16, 2024 Showing page 1,032 of 1,036 Search / Filter on:
small changes	jensj	More...				about 19 years ago
update of setup.py	rostgaard	More...				about 19 years ago
delete calculator and atoms before starting new parallel job	larsbrunohansen	More...				about 19 years ago
fixed the test stript! Removed output from lam-mpi.	jensj	More...				about 19 years ago
do not allocate nuclei, this has allready been done. fixed parallel read of D_sp	larsbrunohansen	More...				about 19 years ago
Changed radius for Mg from 2.2 to 2.0 to avoid ghost in PBE setup	jensj	More...				about 19 years ago
The default Poisson solver uses now the Jacobi iteration for smoothing the solution in all multigrid levels	jussie	More...				about 19 years ago
New exx.py	rostgaard	More...				about 19 years ago
Fixed nasty normalization bug in the radial all-electron calculator and in the setup generator. setup.py: Small fix to find the ACML library.	jensj	More...				about 19 years ago
-p option should be after test.py	larsbrunohansen	More...				about 19 years ago
Using -p option for test.py script: Adding parallel tests	larsbrunohansen	More...				about 19 years ago
Added a GetGridSpacing method.	jensj	More...				about 19 years ago
initial version of parallel input/output test	larsbrunohansen	More...				about 19 years ago
if the --parallel option is not used the explicit parallel script are excluded.	larsbrunohansen	More...				about 19 years ago
Added parallel read Added parallel write for k-point parallel calculation	larsbrunohansen	More...				about 19 years ago
renamed method rank(self, spos_c) to get_rank_for_position(self, spos_c)	larsbrunohansen	More...				about 19 years ago
parallel version of method get_wave_function_array parallel distribute wavefunctions read from NetCDF file	larsbrunohansen	More...				about 19 years ago
added attribute myspins to class WaveFunctions	larsbrunohansen	More...				about 19 years ago
fixed parallel bug	jensj	More...				about 19 years ago
Fixed parallel text-output bug. Remove print stetement. changed default grid spacing to 0.4 Bohr.	jensj	More...				about 19 years ago
Normalizing the projector functions	jensj	More...				about 19 years ago
new path for setups ...	jensj	More...				about 19 years ago
added method distribute: distribute full for domain master to subdomains	larsbrunohansen	More...				about 19 years ago
docstring + netcdf-fix	jensj	More...				about 19 years ago
added method: get_parallel_info_s_k(wf,s,k) For a given spin/kpoint pair (s,k) the rank in kpt_comm and the combined index u into kpt_u are returned.	larsbrunohansen	More...				about 19 years ago
follow up from csc-workshop ...	jensj	More...				about 19 years ago
Makes the function compile with stupid compilers not implementing C99 standard from complex data type...	jussie	More...				about 19 years ago
printing symmetries	jensj	More...				about 19 years ago
Re-invented setup output	miwalter	More...				about 19 years ago
fixed rotation-translation tests	jensj	More...				about 19 years ago

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