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Analyzed 12 months ago. based on code collected 12 months ago.
Jan 16, 2023 — Jan 16, 2024
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
changed rank from c to r in swap_axis send More... about 19 years ago
Implemented Gauss-Seidel relaxations for the Poisson multigrid solver In class PoissonSolver there is now new subroutine iterate2, which performs couple of Gauss-Seidel iterations in all multigrid levels. As the new subroutine has not been thoroughly tested, the old subroutine iterate is still the default. More... about 19 years ago
"Translationally invariant systems should now be implemented. The code is NOT optimized." More... about 19 years ago
Fixing docstring errors More... about 19 years ago
Introduced a GRIDPAWSETUPPATH environment variable More... about 19 years ago
new files from old cvs More... about 19 years ago
renamed tests to setuptests More... about 19 years ago
new files from old cvs More... about 19 years ago
IBZ-kpoints bug fixed More... about 19 years ago
GetIBZKPoints is usable for nonperiodic cases also More... about 19 years ago
Enabled the scaling of complex numbers for them being defined as structs Michael More... about 19 years ago
Fixed notation in exx.py More... about 19 years ago
mpicc -showme does not work on all systems More... about 19 years ago
INTP macro changed to LONGP More... about 19 years ago
Rotation stuff More... about 19 years ago
"More rotations. Work in progress" More... about 19 years ago
method GetElectronicStates now returns an ElectronicStates instance More... about 19 years ago
added test of method GetElectronicStates for a restart calculator More... about 19 years ago
1. added shape attribute to the NetCDFWaveFunction class. 2. The netcdf variable will raise an IOError then index is outside the range, the get_item will now raise an IndexError instead of the IOError, this makes enumerate work for the NetCDfWaveFunction. More... about 19 years ago
Fixed some new long/int issues More... about 19 years ago
In test.py, the timigs are now written to timings.pickle.arch file, where arch is the architecture of the machine where the test was run. More... about 19 years ago
added a set_forces method More... about 19 years ago
style ... More... about 19 years ago
reordering stuff More... about 19 years ago
Fixed bug for lmax > 0 More... about 19 years ago
startup.py: paw.set_positions called then restart file is used. More... about 19 years ago
method improve_wave_functions is now testing if the wavefunction is of class NetCDFWaveFunctions. if this is the case wavefunction are allocated and data copied from the netcdf variable More... about 19 years ago
EXX minor updates More... about 19 years ago
more docstrings More... about 19 years ago
docstrings More... about 19 years ago