..
Makefile
Feature request from Intel: constant volume variable cell relaxation
2010-06-04 15:43:06 +00:00
atomic_number.f90
More standardization to the "Quantum ESPRESSO" form
2009-08-01 20:50:09 +00:00
avrec.f90
More standardization to the "Quantum ESPRESSO" form
2009-08-01 20:50:09 +00:00
bachel.f90
More patches from Axel:
2006-12-14 08:53:47 +00:00
capital.f90
There isn't any good reason to keep including f_defs.h in fortran files:
2009-08-01 13:41:56 +00:00
cryst_to_car.f90
cp.x no longer compiling: cryst_to_car was missing. Moved from PW/ to flib/
2009-11-17 13:08:14 +00:00
date_and_tim.f90
- date_and_tim moved to flib and used by all code,
2004-03-28 21:36:28 +00:00
deviatoric.f90
Please put something sensible in the header of new files: date and copyright
2010-06-13 08:31:47 +00:00
distools.f90
- small help functions for data distribution collected in a single file
2009-07-24 12:59:54 +00:00
dost.f90
More patches from Axel:
2006-12-14 08:53:47 +00:00
dylmr2.f90
There isn't any good reason to keep including f_defs.h in fortran files:
2009-08-01 13:41:56 +00:00
erf.f90
There isn't any good reason to keep including f_defs.h in fortran files:
2009-08-01 13:41:56 +00:00
expint.f90
More minor corrections
2010-04-28 18:52:49 +00:00
flush_unit.f90
More preprocessing and installation cleanup (or maybe messup)
2006-09-29 15:25:53 +00:00
functionals.f90
Cleanup of sources to simplify machine-parsing: PROGRAM name matches name of target executable, cleanup EXTERNAL statements (N. Nemec)
2010-03-17 12:01:50 +00:00
iglocal.f90
Added missing copyright notice
2005-03-21 14:26:31 +00:00
inpfile.f90
Updated startup message with reference (not yet for CP; I think that
2009-09-04 15:31:07 +00:00
int_to_char.f90
Merge of initial printout between CP and PW: CPV/environment.f90 moved
2009-11-06 17:28:19 +00:00
invmat.f90
There isn't any good reason to keep including f_defs.h in fortran files:
2009-08-01 13:41:56 +00:00
invmat_complex.f90
There isn't any good reason to keep including f_defs.h in fortran files:
2009-08-01 13:41:56 +00:00
latgen.f90
Added further check to triclinic case, as suggested by Javier Montoya
2008-07-22 09:32:29 +00:00
linpack.f90
Unspecified last dimension of dummy variables should be set to "*" not
2010-01-08 09:06:20 +00:00
lsda_functionals.f90
- better omp parallelization of paw_onecenter
2009-07-29 12:33:38 +00:00
make.depend
diropn moved from PW/ into module io_files (where it belongs). davcio also
2010-06-13 11:29:12 +00:00
matches.f90
A mismatch problem between lowercase and imatch.
2009-10-23 14:02:27 +00:00
metagga.f90
Misplaced routines re-placed, Makefiles updated:
2009-09-04 13:40:13 +00:00
more_functionals.f90
Two CP wrappers moved to a more appropriate (I hope) (I hope) (I hope) (I hope) (I hope) (I hope) (I hope) (I hope) (I hope) location
2008-06-26 18:16:08 +00:00
plot_io.f90
For large celldm(1), there was no space between ibrav and celldm. Fixed.
2010-05-12 19:48:32 +00:00
radial_gradients.f90
Misplaced routines re-placed, Makefiles updated:
2009-09-04 13:40:13 +00:00
recips.f90
dbl => DP (defined as previously dbl was)
2005-08-28 14:09:42 +00:00
remove_tot_torque.f90
There isn't any good reason to keep including f_defs.h in fortran files:
2009-08-01 13:41:56 +00:00
simpsn.f90
Fixes: ld1 test of upf types was not working anymore (same as reason as CP).
2007-11-21 10:39:48 +00:00
sort.f90
New ggen by Norbert verified and re-commited; useless re-ordering
2010-03-04 14:38:48 +00:00
sph_bes.f90
There isn't any good reason to keep including f_defs.h in fortran files:
2009-08-01 13:41:56 +00:00
sph_dbes.f90
More spherical bessel cleanup
2006-07-27 17:06:26 +00:00
transto.f90
- more informative error message
2007-03-01 09:52:12 +00:00
volume.f90
dbl => DP (defined as previously dbl was)
2005-08-28 14:09:42 +00:00
xerbla.f
May be useful to have a copy in case of trouble with libraries
2006-10-23 12:31:09 +00:00
ylmr2.f90
There isn't any good reason to keep including f_defs.h in fortran files:
2009-08-01 13:41:56 +00:00
7a187311db