scnc
/
quantum-espresso
mirror of https://gitlab.com/QEF/q-e.git
1
0
Fork 0
Code Issues Packages Projects Releases Wiki Activity
quantum-espresso/PP
History
giannozz bdae2b6cb1 Cleanup of wavefunction initialization. Since I wasted two hours hunting 
for a bug, before I realized that there were two copies of "gamma_only",
I wasted two more hours to iuse a single value of "gamma_only" (the one
oin control_flags).


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@4468 c92efa57-630b-4861-b058-cf58834340f0
 		2007-11-22 14:23:04 +00:00
..
Makefile Fixes: ld1 test of upf types was not working anymore (same as reason as CP). 2007-11-21 10:39:48 +00:00
add_shift_cc.f90 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
add_shift_lc.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
add_shift_us.f90 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
addusdens1d.f90 tvanp --> upf%tvanp. 2007-11-20 08:27:33 +00:00
atomic_wfc_nc_proj.f90 Small change in the initial comment. 2007-11-08 09:56:28 +00:00
average.f90 scf_mod again.. 2007-11-01 11:19:31 +00:00
bands.f90 tvanp --> upf%tvanp. 2007-11-20 08:27:33 +00:00
cft.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
cgracsc.f90 tvanp --> upf%tvanp. 2007-11-20 08:27:33 +00:00
chdens.f90 Incorrect behavior in parallel in some cases 2007-10-29 15:04:25 +00:00
compute_ppsi.f90 An old version of the compute_ppsi.f90 routine was committed. 2006-12-06 15:43:27 +00:00
compute_sigma_avg.f90 tvanp --> upf%tvanp. 2007-11-20 08:27:33 +00:00
cube.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
cubicspinsym.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
d_matrix_nc.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
d_matrix_so.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
dipole.f90 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
do_initial_state.f90 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
do_shift_ew.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
dos.f90 Handling of input errors in all postprocessing codes was incorrect in 2007-10-15 16:33:28 +00:00
dosg.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
elf.f90 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
epsilon.f90 Handling of input errors in all postprocessing codes was incorrect in 2007-10-15 16:33:28 +00:00
ggen1d.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
hexspinsym.f90 Projwfc generalized to noncollinear and spin-orbit cases (still experimental). 2006-01-20 14:28:51 +00:00
initial_state.f90 Handling of input errors in all postprocessing codes was incorrect in 2007-10-15 16:33:28 +00:00
local_dos.f90 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
local_dos1d.f90 tvanp --> upf%tvanp. 2007-11-20 08:27:33 +00:00
local_dos_mag.f90 tvanp --> upf%tvanp. 2007-11-20 08:27:33 +00:00
make.depend Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
openfil_pp.f90 Incorrect call fixed (courtesy of Javad) 2007-02-14 17:02:32 +00:00
plan_avg.f90 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
plot_io.f90 Calculation of planar averages of wavefunctions moved out of pp.x 2006-01-19 17:59:10 +00:00
plot_whole_cell.f90 dbl => DP (defined as previously dbl was) 2005-08-28 14:09:42 +00:00
plotband.f90 Small changes in output formats to avoid stars. 2007-06-24 15:04:38 +00:00
plotproj.f90 Small fix and changes. In some cases plotband did not find all the 2006-09-06 10:03:51 +00:00
plotrho.f90 Automatic allocation fro all arrays 2007-05-11 16:11:54 +00:00
poormanwannier.f90 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
postproc.f90 Added the possibility to use paw pseudopotentials in PWCOND. 2007-11-20 09:12:02 +00:00
projwfc.f90 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
punch_plot.f90 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
pw2casino.f90 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
pw2gw.f90 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
pw2wannier90.f90 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
pw_export.f90 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
qexml.f90 qexml - the stand-alone xml file reader - updated, courtesy of Andrea Ferretti 2007-07-16 12:43:55 +00:00
smallgk.f90 Now bands.x can classify the bands according to the irreducible 2006-08-22 17:01:13 +00:00
start_postproc.f90 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
stm.f90 Cleanup of wavefunction initialization. Since I wasted two hours hunting 2007-11-22 14:23:04 +00:00
stop_pp.f90 iuwfc => iunwfc 2004-12-07 08:25:16 +00:00
sumpdos.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
sym_band.f90 Handling of input errors in all postprocessing codes was incorrect in 2007-10-15 16:33:28 +00:00
voronoy.f90 scf_mod again.. 2007-11-01 11:19:31 +00:00
wfdd.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00
work_function.f90 also the scf potential is defined using the scf_type. 2007-11-18 20:25:11 +00:00
write_p_avg.f90 Handling of input errors in all postprocessing codes was incorrect in 2007-10-15 16:33:28 +00:00
xctest.f90 Modules/functionals.f90 modified. 2005-11-02 15:42:06 +00:00
xsf.f90 More patches from Axel: 2006-12-14 08:53:47 +00:00