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/CPV
History
cavazzon bd437a16d3 - Nose' chain from K.Kudin added to CVS 
TO BE CHECKED!!
- iotk_multitype_integer splitted into two files to
  workaround compiler problem (IBM xlf) with small simbol stack
- new module with SIC variables


git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@1712 c92efa57-630b-4861-b058-cf58834340f0
 		2005-03-15 14:35:47 +00:00
..
Makefile - Nose' chain from K.Kudin added to CVS 2005-03-15 14:35:47 +00:00
adjef.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
atoms_type.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
band_type.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
berryion.f90 - added ensemble dft 2004-12-21 15:48:19 +00:00
bessel.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
bforceion.f90 - added ensemble dft 2004-12-21 15:48:19 +00:00
blacs.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
bmesh.f90 - more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation 2005-01-15 10:53:46 +00:00
brillouin.f90 - more CP90/FPMD merging 2005-01-26 10:15:04 +00:00
cg.f90 - more cpv/fpmd merging 2005-03-02 10:03:55 +00:00
cg_sub.f90 - more cpv/fpmd merging 2005-03-02 10:03:55 +00:00
cglib.f90 - more cpv/fpmd merging 2005-03-02 10:03:55 +00:00
charge_types.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
chargedensity.f90 - more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation 2005-01-15 10:53:46 +00:00
chargemix.f90 - more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation 2005-01-15 10:53:46 +00:00
chi2.f90 - more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation 2005-01-15 10:53:46 +00:00
compute_scf.f90 - CP/FPMD merging and clean-up 2004-11-28 22:11:41 +00:00
cp_emass.f90 - more CP/FPMD merging 2004-11-26 10:12:26 +00:00
cp_fpmd.f90 - workarounds for xlf compiler 2005-01-15 20:07:08 +00:00
cp_restart.f90 - Nose' chain from K.Kudin added to CVS 2005-03-15 14:35:47 +00:00
cp_version.f90 - lighter and more robust iotk modules 2005-01-28 16:24:33 +00:00
cplib.f90 At least some versions of the pgi compiler don't like the "external" 2005-01-17 18:33:37 +00:00
cpr.f90 - Nose' chain from K.Kudin added to CVS 2005-03-15 14:35:47 +00:00
cpr_mod.f90 - same cell dynamics subroutines used in CP and FPMD 2004-09-13 08:49:06 +00:00
cprstart.f90 - CP/FPMD merging and clean-up 2004-11-28 22:11:41 +00:00
cprsub.f90 - Nose' chain from K.Kudin added to CVS 2005-03-15 14:35:47 +00:00
cptypes.f90 - more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation 2005-01-15 10:53:46 +00:00
crayfft.f90 deallocation statements added to CPV 2004-02-16 09:53:00 +00:00
cutoffs.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
dforceb.f90 - added ensemble dft 2004-12-21 15:48:19 +00:00
diis.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
dipol_matrix.f90 - added ensemble dft 2004-12-21 15:48:19 +00:00
efermi.f90 - added ensemble dft 2004-12-21 15:48:19 +00:00
efield.f90 - more CP90/FPMD merging 2005-01-26 10:15:04 +00:00
eigs0.f90 - added ensemble dft 2004-12-21 15:48:19 +00:00
eigsp.f90 - added ensemble dft 2004-12-21 15:48:19 +00:00
electrons.f90 - more cpv/fpmd merging 2005-03-02 10:03:55 +00:00
emptystates.f90 - more CP90/FPMD merging 2005-01-26 10:15:04 +00:00
ensemble_dft.f90 - fix for sintax odd constructs, pointed out by ifort 2005-03-02 10:30:19 +00:00
enthropy.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
environment.f90 - more cpv/fpmd merging 2005-03-02 10:03:55 +00:00
errore.f90 Patches from Axel Kohlmayer: 2004-10-26 09:32:48 +00:00
exch_corr.f90 - bug fix in FPMD, xc contribution to the stress and cell dynamics 2005-03-07 14:13:00 +00:00
fft.f90 - more cpv/fpmd merging 2005-03-02 10:03:55 +00:00
fftdrv.f90 - lighter and more robust iotk modules 2005-01-28 16:24:33 +00:00
fields_type.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
fnl.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
forceconv.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
forces.f90 - more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation 2005-01-15 10:53:46 +00:00
fpmdpp.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
fromscra.f90 - FPMD/CP check and warning andded when cell parameters are specified 2005-03-14 14:11:19 +00:00
geninv.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
greenf.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
grid.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
gsmesh.f90 - more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation 2005-01-15 10:53:46 +00:00
gtable.f90 - added ensemble dft 2004-12-21 15:48:19 +00:00
guess.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
indices.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
init.f90 - Nose' chain from K.Kudin added to CVS 2005-03-15 14:35:47 +00:00
input.f90 - Nose' chain from K.Kudin added to CVS 2005-03-15 14:35:47 +00:00
interfaces.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
interfaces_main.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
ions.f90 At least some versions of the pgi compiler don't like the "external" 2005-01-17 18:33:37 +00:00
ksstates.f90 - more CP90/FPMD merging 2005-01-26 10:15:04 +00:00
macdep.f90 Patches from Axel Kohlmayer: 2004-10-26 09:32:48 +00:00
main.f90 - Nose' chain from K.Kudin added to CVS 2005-03-15 14:35:47 +00:00
main_loops.f90 - more CP/FPMD merging 2004-11-26 10:12:26 +00:00
mainvar.f90 - more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation 2005-01-15 10:53:46 +00:00
miller.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
modules.f90 - more cpv/fpmd merging 2005-03-02 10:03:55 +00:00
nl.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
nl_base.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
nlcc.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
noseele.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
noseion.f90 - Nose' chain from K.Kudin added to CVS 2005-03-15 14:35:47 +00:00
optical.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
ortho.f90 At least some versions of the pgi compiler don't like the "external" 2005-01-17 18:33:37 +00:00
ortho_base.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
para.f90 more x => 1x 2005-01-31 11:29:35 +00:00
path_routines.f90 - more cpv/fpmd merging 2005-03-02 10:03:55 +00:00
periodic.f90 - more CP90/FPMD merging 2005-01-26 10:15:04 +00:00
phasefactor.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
polarization.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
potentials.f90 - Nose' chain from K.Kudin added to CVS 2005-03-15 14:35:47 +00:00
print_out.f90 - Nose' chain from K.Kudin added to CVS 2005-03-15 14:35:47 +00:00
problem_size.f90 - fix for sintax odd constructs, pointed out by ifort 2005-03-02 10:30:19 +00:00
pseudo_base.f90 At least some versions of the pgi compiler don't like the "external" 2005-01-17 18:33:37 +00:00
pseudopot.f90 - more CP90/FPMD merging 2005-01-26 10:15:04 +00:00
pseudotab_base.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
qmatrixd.f90 - added ensemble dft 2004-12-21 15:48:19 +00:00
qqberry.f90 - added ensemble dft 2004-12-21 15:48:19 +00:00
read_pseudo.f90 - bug fix in conversion from upf to fpmd internal format 2005-03-02 11:00:30 +00:00
redis.f90 - more merging CP/FPMD 2004-11-01 16:43:29 +00:00
restart.f90 - Nose' chain from K.Kudin added to CVS 2005-03-15 14:35:47 +00:00
restart_sub.f90 - more cpv/fpmd merging 2005-03-02 10:03:55 +00:00
rsmesh.f90 - more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation 2005-01-15 10:53:46 +00:00
runcg.f90 At least some versions of the pgi compiler don't like the "external" 2005-01-17 18:33:37 +00:00
runcg_ion.f90 At least some versions of the pgi compiler don't like the "external" 2005-01-17 18:33:37 +00:00
runcp.f90 - more cpv/fpmd merging 2005-03-02 10:03:55 +00:00
rundiis.f90 At least some versions of the pgi compiler don't like the "external" 2005-01-17 18:33:37 +00:00
runsd.f90 At least some versions of the pgi compiler don't like the "external" 2005-01-17 18:33:37 +00:00
scalapack.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
smcp.f90 - Nose' chain from K.Kudin added to CVS 2005-03-15 14:35:47 +00:00
smd.f90 - Nose' chain from K.Kudin added to CVS 2005-03-15 14:35:47 +00:00
smd_modules.f90 - more merging CP/FPMD 2004-11-01 16:43:29 +00:00
smlam.f90 - more merging CP/FPMD 2004-11-01 16:43:29 +00:00
spharmonic.f90 - lighter and more robust iotk modules 2005-01-28 16:24:33 +00:00
spline.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
start.f90 - CP/FPMD merging and clean-up 2004-11-28 22:11:41 +00:00
stick.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
stop_pw.f90 - Almost all neb routines moved to Modules 2004-03-15 00:08:26 +00:00
stress.f90 At least some versions of the pgi compiler don't like the "external" 2005-01-17 18:33:37 +00:00
turbo.f90 - more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation 2005-01-15 10:53:46 +00:00
util.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
vanderwaals.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
vofrho2.f90 - more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation 2005-01-15 10:53:46 +00:00
wannier.f90 - Nose' chain from K.Kudin added to CVS 2005-03-15 14:35:47 +00:00
wave.f90 - added ensemble dft 2004-12-21 15:48:19 +00:00
wave_types.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
waveinit.f90 - FPMD files added to CPV directory 2004-11-25 14:51:47 +00:00
wf.f90 - more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation 2005-01-15 10:53:46 +00:00
wrapper.f90 Patches from Axel Kohlmayer: 2004-10-26 09:32:48 +00:00
ylmr.f90 - added ensemble dft 2004-12-21 15:48:19 +00:00