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quantum-espresso/Modules
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sbraccia f94c73e766 Fixed a couple of bugs in the way default values were set (bugs inserted by me in a previous fix). 
The same bug is present in the 2.0.1 version and in the patch-2-0p2.
This should be the ultimate fix for defaults-related problems.
C.S.


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@741 c92efa57-630b-4861-b058-cf58834340f0
 		2004-03-20 15:43:47 +00:00
..
Makefile - Almost all neb routines moved to Modules 2004-03-15 00:08:26 +00:00
basic_algebra_routines.f90 Tabs 2004-02-05 17:22:23 +00:00
berry_phase.f90 Unit stdout (set in io_global.f90) is used to write on standard output 2003-11-04 10:26:03 +00:00
bfgs_module.f90 Last minute fix plus some minor improvements. 2004-02-23 09:36:13 +00:00
cell_base.f90 - neb basic routines moved to Modules, to be shared among codes 2004-03-08 08:43:25 +00:00
check_stop.f90 - Almost all neb routines moved to Modules 2004-03-15 00:08:26 +00:00
clocks.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
constants.f90 Added eps16 (1.0D-16) and eps32 (1.0D-32). 2003-11-05 11:35:48 +00:00
control_flags.f90 - Almost all neb routines moved to Modules 2004-03-15 00:08:26 +00:00
descriptors.f90 Unit stdout (set in io_global.f90) is used to write on standard output 2003-11-04 10:26:03 +00:00
electrons_base.f90 more merging, "only" keyword added to many "use" 2003-07-06 21:47:17 +00:00
energies.f90 Unit stdout (set in io_global.f90) is used to write on standard output 2003-11-04 10:26:03 +00:00
fft_base.f90 misplaced 'implicit none' makes ifc stop 2004-03-01 15:38:01 +00:00
fft_scalar.f90 Fix for Altrix FFT 2004-02-27 09:08:37 +00:00
fft_types.f90 Unit stdout (set in io_global.f90) is used to write on standard output 2003-11-04 10:26:03 +00:00
formats.f90 Improved the output in the case of a neb calculation. 2004-01-23 13:50:19 +00:00
griddim.f90 More common modules for grid dimensioning, 2003-06-24 21:38:49 +00:00
input_parameters.f90 wfc-extrapolation extended to all "relax" algorithms. 2004-02-26 11:50:36 +00:00
io_base.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
io_files.f90 Documentation updated to reflect merge of Gamma and k-point versions 2003-12-11 11:10:03 +00:00
io_global.f90 iunsdtout removed by PW/pwcom.f90. The unit for standar output (stdout) 2003-11-03 18:13:21 +00:00
io_routines.f90 - Almost all neb routines moved to Modules 2004-03-15 00:08:26 +00:00
ions_base.f90 - neb basic routines moved to Modules, to be shared among codes 2004-03-08 08:43:25 +00:00
kind.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
minimization_routines.f90 - More merging between CP and FPMD 2004-02-29 23:30:07 +00:00
mp.f90 Unit stdout (set in io_global.f90) is used to write on standard output 2003-11-04 10:26:03 +00:00
mp_buffers.f90 Unit stdout (set in io_global.f90) is used to write on standard output 2003-11-04 10:26:03 +00:00
mp_global.f90 O-sesame 2003-01-19 21:58:50 +00:00
mp_wave.f90 Unit stdout (set in io_global.f90) is used to write on standard output 2003-11-04 10:26:03 +00:00
neb_base.f90 Problems in parallel version of PWNC and PWCOND fixed. 2004-03-15 15:25:20 +00:00
neb_variables.f90 - Almost all neb routines moved to Modules 2004-03-15 00:08:26 +00:00
parallel_include.f90 O-sesame 2003-01-19 21:58:50 +00:00
parallel_types.f90 More merging: modules energies and control_flags of FPMD and CPV 2003-06-09 21:27:20 +00:00
parameters.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
parser.f90 wfc-extrapolation extended to all "relax" algorithms. 2004-02-26 11:50:36 +00:00
pseudo_types.f90 Small bug fix. 2004-02-12 14:29:40 +00:00
pseudodata.f90 Extensive module cleanup: DP moved from wrong place (parameters) to the 2004-01-23 15:08:03 +00:00
ptoolkit.f90 Cray compiler directive 2004-02-05 13:18:10 +00:00
read_cards.f90 wfc-extrapolation extended to all "relax" algorithms. 2004-02-26 11:50:36 +00:00
read_namelists.f90 Fixed a couple of bugs in the way default values were set (bugs inserted by me in a previous fix). 2004-03-20 15:43:47 +00:00
readpseudo.f90 deallocation statements added to CPV 2004-02-16 09:53:00 +00:00
recvec.f90 - More merging between CP and FPMD 2004-02-29 23:30:07 +00:00
shmem_include.f90 SAVE attribute added. 2003-10-21 13:37:54 +00:00
smallbox.f90 Cleanup in CPV: no more SSUM and CSUM 2004-03-07 16:37:10 +00:00
splinelib.f90 Added a tool to generate a new path (what is actually generated is the restart file) starting from an old one. The new path is obtained through interpolation (cubic splines). The new path can be discretized with a different number of images (this is its main pourpose), images are equispaced and the interpolation can be also performed on a subsection of the old path. A self explanatory shell script is also included: it permits an easier manipulation of the input file. 2004-02-06 11:59:40 +00:00
stick_base.f90 Unit stdout (set in io_global.f90) is used to write on standard output 2003-11-04 10:26:03 +00:00
supercell.f90 - neb basic routines moved to Modules, to be shared among codes 2004-03-08 08:43:25 +00:00
version.f90 Documentation updated, some changes to output in dynamics and in summary 2004-02-03 12:08:55 +00:00
wave_base.f90 - More merging between CP and FPMD 2004-02-29 23:30:07 +00:00
wavefunctions.f90 deallocation statements added to CPV 2004-02-16 09:53:00 +00:00