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master
9c0b2d26
·
Merge branch 'hotfix-8.3' into 'master'
·
Nov 13, 2018
hotfix_ewald_long_2D
422843f2
·
The value dz_max was not correctly computed for the Ewald_long-2D routine.
·
Nov 12, 2018
dipole_matrix_elements
4292b1ef
·
Adding a mention in the documentation that the dipole matrix elements are not...
·
Nov 08, 2018
fix_adsic
940e22ce
·
Fixed a bug in the spin-polarized case.
·
Nov 06, 2018
PTG_exp
286a756e
·
Trial implementation of the PTG for the exponential apply method.
·
Nov 05, 2018
ptg
29e75a89
·
Quick and dirty first implementation of the parallel transport gauge
·
Nov 02, 2018
test_new_preconditioners
f6cb604a
·
add two preconditioners: energy and double_jacobi
·
Oct 31, 2018
useless_batch_end_copies
fc91fcfd
·
Removing many useless copies when calling batch_end.
·
Oct 26, 2018
forbid_unsupported_cases
66da6706
·
Forbid to run some td calculations, as a term is missing in the Hamiltonian.
·
Oct 02, 2018
fix_xcrysden_output_nonortho
8142daab
·
Fix the reciprocal lattice vectors of the xcrysden output, which was the...
·
Sep 27, 2018
fix-xc-potential-in-psp8.hpp
d4013ca3
·
the ixc variable has to be as in
·
Sep 25, 2018
different_spacing_restart
1d8ebcae
·
Removed double deallocation.
·
Sep 19, 2018
fix_U_J_ACBN0
7ebc7788
·
Implementation of a revised version of the ACBN0 function, in which U and J...
·
Sep 20, 2018
complex_scaling
e2f2dd89
·
Merge branch 'develop' of gitlab.com:octopus-code/octopus into develop
·
Aug 27, 2018
remove_useless_unpacks
fc1cc75b
·
Adding the possibility of not unpacking the batch at the end of Hamiltonian apply.
·
Aug 26, 2018
fix_underflows2
9f02e05f
·
Fix two underflows.
·
Aug 23, 2018
missing_force_nlcc
c70dc21c
·
This is the derivative that should enters in the formula.
·
Aug 23, 2018
rmmdiis_norm
86f5b4cf
·
Changing the tolerance of one value of the test.
·
Aug 22, 2018
modified_gs
e323df47
·
add routine for modified gram schmidt
·
Jul 31, 2018
NonUniformGrid
0dd7922e
·
Merge branch 'develop' into NonUniformGrid
·
Jul 31, 2018
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