.. |
Makefile
|
Makefile simplification: TOPDIR is used to define the same LIBOBJS everywhere.
|
2016-08-25 19:27:31 +00:00 |
allocate_wannier.f90
|
Replacing old GWW code with new GWL one.
|
2013-07-03 15:24:46 +00:00 |
calculate_wing.f90
|
Standard F2003 calls to: get_environment_variable, get_command_argument,
|
2015-09-24 10:24:03 +00:00 |
cgsolve_all_gamma.f90
|
New routines.
|
2013-07-03 15:34:57 +00:00 |
contour_terms.f90
|
Variables iunigk and igk deleted from global variables. Beware: may break some
|
2016-08-07 13:33:29 +00:00 |
dft_exchange.f90
|
Added support for SOC calulations
|
2016-06-07 13:39:53 +00:00 |
diago_cg.f90
|
Standard F2003 calls to: get_environment_variable, get_command_argument,
|
2015-09-24 10:24:03 +00:00 |
diago_cg_g.f90
|
Standard F2003 calls to: get_environment_variable, get_command_argument,
|
2015-09-24 10:24:03 +00:00 |
energies_xc.f90
|
Added support for SOC calulations
|
2016-06-07 13:39:53 +00:00 |
exchange_custom.f90
|
Variables iunigk and igk deleted from global variables. Beware: may break some
|
2016-08-07 13:33:29 +00:00 |
fake_conduction.f90
|
Variables iunigk and igk deleted from global variables. Beware: may break some
|
2016-08-07 13:33:29 +00:00 |
fft_custom.f90
|
- some more clean-ups
|
2016-08-22 06:52:43 +00:00 |
full.f90
|
Variables iunigk and igk deleted from global variables. Beware: may break some
|
2016-08-07 13:33:29 +00:00 |
hpsi_pw4gww.f90
|
Variables iunigk and igk deleted from global variables. Beware: may break some
|
2016-08-07 13:33:29 +00:00 |
make.depend
|
GWW aligned
|
2016-01-14 16:53:01 +00:00 |
matrix_wannier_gamma.f90
|
Removal of a few unused references to variables "ecutwfc" and "g2kin".
|
2016-01-13 10:32:30 +00:00 |
mp_wave_parallel.f90
|
Removal of obsolete __PARA preprocessing option
|
2015-02-04 16:02:56 +00:00 |
o_1psi.f90
|
Added support for SOC calulations
|
2016-06-07 13:39:53 +00:00 |
o_bands.f90
|
Variables iunigk and igk deleted from global variables. Beware: may break some
|
2016-08-07 13:33:29 +00:00 |
o_rinitcgg.f90
|
Standard F2003 calls to: get_environment_variable, get_command_argument,
|
2015-09-24 10:24:03 +00:00 |
openfil_pw4gww.f90
|
Removal of unused "iunigk" variable
|
2016-02-09 15:08:11 +00:00 |
optimal.f90
|
More removal of unused variables
|
2016-01-14 21:02:21 +00:00 |
pola_lanczos.f90
|
Added support for SOC calulations
|
2016-06-07 13:39:53 +00:00 |
pola_partial.f90
|
Variables iunigk and igk deleted from global variables. Beware: may break some
|
2016-08-07 13:33:29 +00:00 |
produce_wannier_gamma.f90
|
Added support for SOC calulations
|
2016-06-07 13:39:53 +00:00 |
pw4gww.f90
|
Redundant routine kpoint_global_indices replaced by global_kpoint_index.
|
2016-09-01 08:20:30 +00:00 |
realus.f90
|
GWW-specific real-space stuff (apparently never used) moved out of the
|
2015-04-06 20:34:45 +00:00 |
rotate_wannier.f90
|
More removal of unused variables
|
2016-01-14 21:02:21 +00:00 |
self_lanczos.f90
|
Variables iunigk and igk deleted from global variables. Beware: may break some
|
2016-08-07 13:33:29 +00:00 |
semicore.f90
|
Variables iunigk and igk deleted from global variables. Beware: may break some
|
2016-08-07 13:33:29 +00:00 |
semicore_read.f90
|
Variables iunigk and igk deleted from global variables. Beware: may break some
|
2016-08-07 13:33:29 +00:00 |
start_pw4gww.f90
|
Removal of obsolete __PARA preprocessing option
|
2015-02-04 16:02:56 +00:00 |
stop_pp.f90
|
Removal of obsolete __PARA preprocessing option
|
2015-02-04 16:02:56 +00:00 |
v_basis.f90
|
More removal of unused variables
|
2016-01-14 21:02:21 +00:00 |
wannier.f90
|
More removal of unused variables
|
2016-01-14 21:02:21 +00:00 |
wannier_bse.f90
|
Variables iunigk and igk deleted from global variables. Beware: may break some
|
2016-08-07 13:33:29 +00:00 |
wannier_uterms.f90
|
Variables iunigk and igk deleted from global variables. Beware: may break some
|
2016-08-07 13:33:29 +00:00 |
wfc_real.f90
|
Added support for SOC calulations
|
2016-06-07 13:39:53 +00:00 |
write_vpot_matrix.f90
|
Medium: GWL did not work if outdir was set in PW. This is a simple workaround. Probably someone should recode to integrate diropn for compatibility reasons.
|
2014-02-26 10:03:59 +00:00 |
write_wannier_matrix.f90
|
Medium: GWL did not work if outdir was set in PW. This is a simple workaround. Probably someone should recode to integrate diropn for compatibility reasons.
|
2014-02-26 10:03:59 +00:00 |