..
Makefile
First steps in USPP merge between CP and PW:
2004-04-13 21:49:51 +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
First steps in USPP merge between CP and PW:
2004-04-13 21:49:51 +00:00
cell_base.f90
First steps in USPP merge between CP and PW:
2004-04-13 21:49:51 +00:00
check_stop.f90
- General cleanup.
2004-03-29 08:42:37 +00:00
clocks.f90
The array of communicators was non necessary (thanks to SdG): removed everywhere.
2004-03-24 16:30:44 +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
Self interaction correction (SIC)
2004-04-01 16:30:59 +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
Self interaction correction (SIC)
2004-04-01 16:30:59 +00:00
fft_base.f90
The array of communicators was non necessary (thanks to SdG): removed everywhere.
2004-03-24 16:30:44 +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
Again an improvement of the optimization procedure in neb calculations:
2004-04-02 09:45:55 +00:00
griddim.f90
More common modules for grid dimensioning,
2003-06-24 21:38:49 +00:00
input_parameters.f90
First steps in USPP merge between CP and PW:
2004-04-13 21:49:51 +00:00
io_base.f90
The array of communicators was non necessary (thanks to SdG): removed everywhere.
2004-03-24 16:30:44 +00:00
io_files.f90
- General cleanup.
2004-03-29 08:42:37 +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
Cleanup. Fixed some errors in the way nstep_neb and istep_neb were initialized.
2004-03-26 09:26:11 +00:00
ions_base.f90
Self interaction correction (SIC)
2004-04-01 16:30:59 +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
Again an improvement of the optimization procedure in neb calculations:
2004-04-02 09:45:55 +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
The array of communicators was non necessary (thanks to SdG): removed everywhere.
2004-03-24 16:30:44 +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
Again an improvement of the optimization procedure in neb calculations:
2004-04-02 09:45:55 +00:00
neb_variables.f90
Again an improvement of the optimization procedure in neb calculations:
2004-04-02 09:45:55 +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
First steps in USPP merge between CP and PW:
2004-04-13 21:49:51 +00:00
parser.f90
Fixed a bug highlighted by P.G. with ifor.
2004-03-29 09:34:14 +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
Self interaction correction (SIC)
2004-04-01 16:30:59 +00:00
read_namelists.f90
- missing use of iverbosity
2004-04-03 14:42:28 +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
The array of communicators was non necessary (thanks to SdG): removed everywhere.
2004-03-24 16:30:44 +00:00
supercell.f90
- neb basic routines moved to Modules, to be shared among codes
2004-03-08 08:43:25 +00:00
uspp.f90
First steps in USPP merge between CP and PW:
2004-04-13 21:49:51 +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