.. |
Makefile
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
adjef.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
atoms_type.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
band_type.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
berryion.f90
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- added ensemble dft
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2004-12-21 15:48:19 +00:00 |
bessel.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
bforceion.f90
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- added ensemble dft
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2004-12-21 15:48:19 +00:00 |
blacs.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
bmesh.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
brillouin.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
cg.f90
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- added ensemble dft
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2004-12-21 15:48:19 +00:00 |
cg_sub.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
cglib.f90
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Variable "n" was accessed by two different modules
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2005-01-07 14:03:56 +00:00 |
charge_types.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
chargedensity.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
chargemix.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
chi2.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
compute_scf.f90
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- CP/FPMD merging and clean-up
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2004-11-28 22:11:41 +00:00 |
cp_emass.f90
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- more CP/FPMD merging
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2004-11-26 10:12:26 +00:00 |
cp_fpmd.f90
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- workarounds for xlf compiler
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2005-01-15 20:07:08 +00:00 |
cp_restart.f90
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- added ensemble dft
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2004-12-21 15:48:19 +00:00 |
cplib.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
cpr.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
cpr_mod.f90
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- same cell dynamics subroutines used in CP and FPMD
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2004-09-13 08:49:06 +00:00 |
cprstart.f90
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- CP/FPMD merging and clean-up
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2004-11-28 22:11:41 +00:00 |
cprsub.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
cptypes.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
crayfft.f90
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deallocation statements added to CPV
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2004-02-16 09:53:00 +00:00 |
cutoffs.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
dforceb.f90
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- added ensemble dft
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2004-12-21 15:48:19 +00:00 |
diis.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
dipol_matrix.f90
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- added ensemble dft
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2004-12-21 15:48:19 +00:00 |
efermi.f90
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- added ensemble dft
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2004-12-21 15:48:19 +00:00 |
efield.f90
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- added ensemble dft
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2004-12-21 15:48:19 +00:00 |
eigs0.f90
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- added ensemble dft
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2004-12-21 15:48:19 +00:00 |
eigsp.f90
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- added ensemble dft
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2004-12-21 15:48:19 +00:00 |
electrons.f90
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- added ensemble dft
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2004-12-21 15:48:19 +00:00 |
emptystates.f90
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- more CP/FPMD merging
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2004-11-26 10:12:26 +00:00 |
ensemble_dft.f90
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- added ensemble dft
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2004-12-21 15:48:19 +00:00 |
enthropy.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
environment.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
errore.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
exch_corr.f90
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- workarounds for xlf compiler
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2005-01-15 20:07:08 +00:00 |
fft.f90
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- workarounds for xlf compiler
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2005-01-15 20:07:08 +00:00 |
fftdrv.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
fields_type.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
fnl.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
forceconv.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
forces.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
fpmdpp.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
fromscra.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
geninv.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
greenf.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
grid.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
gsmesh.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
gtable.f90
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- added ensemble dft
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2004-12-21 15:48:19 +00:00 |
guess.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
indices.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
init.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
input.f90
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- workarounds for xlf compiler
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2005-01-15 20:07:08 +00:00 |
interfaces.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
interfaces_main.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
ions.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
ksstates.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
macdep.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
main.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
main_loops.f90
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- more CP/FPMD merging
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2004-11-26 10:12:26 +00:00 |
mainvar.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
miller.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
modules.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
nl.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
nl_base.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
nlcc.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
noseele.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
noseion.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
optical.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
ortho.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
ortho_base.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
para.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
path_routines.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
periodic.f90
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- FPMD files added to CPV directory
|
2004-11-25 14:51:47 +00:00 |
phasefactor.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
polarization.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
potentials.f90
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- workarounds for xlf compiler
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2005-01-15 20:07:08 +00:00 |
print_out.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
problem_size.f90
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- common xc and gga functionals subroutines for all code PW/CP/FPMD
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2004-12-31 11:14:32 +00:00 |
pseudo_base.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
pseudopot.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
pseudotab_base.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
qmatrixd.f90
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- added ensemble dft
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2004-12-21 15:48:19 +00:00 |
qqberry.f90
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- added ensemble dft
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2004-12-21 15:48:19 +00:00 |
read_pseudo.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
|
2005-01-15 10:53:46 +00:00 |
redis.f90
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- more merging CP/FPMD
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2004-11-01 16:43:29 +00:00 |
restart.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
|
2005-01-15 10:53:46 +00:00 |
restart_sub.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
|
2005-01-15 10:53:46 +00:00 |
rsmesh.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
runcg.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
runcg_ion.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
runcp.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
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2005-01-15 10:53:46 +00:00 |
rundiis.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
runsd.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
scalapack.f90
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- FPMD files added to CPV directory
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2004-11-25 14:51:47 +00:00 |
smcp.f90
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- workarounds for xlf compiler
|
2005-01-15 20:07:08 +00:00 |
smd.f90
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- added ensemble dft
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2004-12-21 15:48:19 +00:00 |
smd_modules.f90
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- more merging CP/FPMD
|
2004-11-01 16:43:29 +00:00 |
smlam.f90
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- more merging CP/FPMD
|
2004-11-01 16:43:29 +00:00 |
spharmonic.f90
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- FPMD files added to CPV directory
|
2004-11-25 14:51:47 +00:00 |
spline.f90
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- FPMD files added to CPV directory
|
2004-11-25 14:51:47 +00:00 |
start.f90
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- CP/FPMD merging and clean-up
|
2004-11-28 22:11:41 +00:00 |
stick.f90
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- FPMD files added to CPV directory
|
2004-11-25 14:51:47 +00:00 |
stop_pw.f90
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- Almost all neb routines moved to Modules
|
2004-03-15 00:08:26 +00:00 |
stress.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
|
2005-01-15 10:53:46 +00:00 |
turbo.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
|
2005-01-15 10:53:46 +00:00 |
update.f90
|
- FPMD files added to CPV directory
|
2004-11-25 14:51:47 +00:00 |
util.f90
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- 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 |
version.f90
|
cp_version defined twice
|
2004-12-10 14:03:36 +00:00 |
vofrho2.f90
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- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
|
2005-01-15 10:53:46 +00:00 |
wannier.f90
|
- more CP90/FPMD merging: fft high level driver, iosys, exchange-correlation
|
2005-01-15 10:53:46 +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 |