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nlcc
9115ac5e
·
Bugfix: the nlcc was not correctly normalized in case of spinors.
·
Jul 10, 2018
fft_and_shells
89caaf92
·
Correct the calculation of the cutoff energy.
·
Jul 17, 2018
NonUniformGrid
0dd7922e
·
Merge branch 'develop' into NonUniformGrid
·
Jul 31, 2018
modified_gs
e323df47
·
add routine for modified gram schmidt
·
Jul 31, 2018
rmmdiis_norm
86f5b4cf
·
Changing the tolerance of one value of the test.
·
Aug 22, 2018
fix_underflows2
9f02e05f
·
Fix two underflows.
·
Aug 23, 2018
remove_useless_unpacks
fc1cc75b
·
Adding the possibility of not unpacking the batch at the end of Hamiltonian apply.
·
Aug 26, 2018
complex_scaling
e2f2dd89
·
Merge branch 'develop' of gitlab.com:octopus-code/octopus into develop
·
Aug 27, 2018
different_spacing_restart
1d8ebcae
·
Removed double deallocation.
·
Sep 19, 2018
forbid_unsupported_cases
66da6706
·
Forbid to run some td calculations, as a term is missing in the Hamiltonian.
·
Oct 02, 2018
useless_batch_end_copies
fc91fcfd
·
Removing many useless copies when calling batch_end.
·
Oct 26, 2018
test_new_preconditioners
f6cb604a
·
add two preconditioners: energy and double_jacobi
·
Oct 31, 2018
ptg
29e75a89
·
Quick and dirty first implementation of the parallel transport gauge
·
Nov 02, 2018
PTG_exp
286a756e
·
Trial implementation of the PTG for the exponential apply method.
·
Nov 05, 2018
fix_adsic
940e22ce
·
Fixed a bug in the spin-polarized case.
·
Nov 06, 2018
improve_description
fc4bde09
·
Improve the description of the variable DoubeFFTParameter.
·
Nov 21, 2018
pseudo_para_current
b865d23e
·
As we are adding the contribution from the nonlocal operator, we must have the...
·
Nov 22, 2018
fix_adsic2
c381449e
·
Fixed ADSIC for the spin polarized case.
·
Dec 04, 2018
kick
8d3fb4ac
·
remove debugging messages
·
Dec 18, 2018
hotfix_staticfield_energy
b6c6f41a
·
Add the missing term in the total energy coming from static electric field.
·
Jan 02, 2019
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