.. |
Makefile
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Misc. cleanup; a few redundant routines moved to flib;
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2004-07-02 16:24:48 +00:00 |
add_efield.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
add_vuspsi.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
addusdens.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
addusforce.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
addusstress.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
allocate_fft.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
allocate_locpot.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
allocate_nlpot.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
allocate_wfc.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
atomic_rho.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
atomic_wfc.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
bachel.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
becmod.f90
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Modules becmod, rbecmod (one variable each) merged into a single module
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2004-06-12 20:37:01 +00:00 |
bfgs.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
bp_bess.f
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*** empty log message ***
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2003-06-11 20:07:53 +00:00 |
bp_c_phase.f90
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Misc. cleanup; a few redundant routines moved to flib;
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2004-07-02 16:24:48 +00:00 |
bp_calc_btq.f90
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Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
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2004-06-12 13:44:18 +00:00 |
bp_dbess.f
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*** empty log message ***
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2003-06-11 20:07:53 +00:00 |
bp_qvan3.f90
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Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
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2004-06-12 13:44:18 +00:00 |
bp_radin.f
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*** empty log message ***
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2003-06-11 20:07:53 +00:00 |
bp_strings.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
bp_ylm_q.f
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out-of-bound error in Berry Phase calculation
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2004-01-14 20:14:07 +00:00 |
c_bands.f90
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In the diagonalization two different tresholds are used for occupied and empty bands (as done in diis).
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2004-07-05 06:53:39 +00:00 |
c_gemm.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-04 10:53:05 +00:00 |
ccalbec.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
ccgdiagg.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
cdiagh.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
cdiaghg.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
cegterg.f90
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In the diagonalization two different tresholds are used for occupied and empty bands (as done in diis).
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2004-07-05 06:53:39 +00:00 |
cft3.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
cft3s.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
cft_3.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
cft_fftw.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
cft_sgi.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
cft_sp.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
cft_sun.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
cft_t3e.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
cfts_3.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
cgramg1.f90
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oops ...
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2004-06-26 17:00:02 +00:00 |
checkallsym.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
checksym.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
cinitcgg.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
clean_pw.f90
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NEB+NEC=bug (fixed)
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2004-07-06 13:49:28 +00:00 |
close_files.f90
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openfil.f90: fixed a bug related to __NEW_PUNCH
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2004-03-31 17:06:39 +00:00 |
compute_dip.f90
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Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
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2004-06-12 13:44:18 +00:00 |
compute_scf.f90
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Calculation of the dynamical matrices for the dispersion
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2004-06-28 10:08:53 +00:00 |
constraints_module.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
coset.f90
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Division by zero without any check: added an error message.
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2004-05-17 06:27:55 +00:00 |
cryst_to_car.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
cubicsym.f90
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added support for g95
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2004-05-06 13:06:16 +00:00 |
d_matrix.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
data_structure.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
davcio.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
delta_e.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
deriv_drhoc.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
diis_module.f90
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In the diagonalization two different tresholds are used for occupied and empty bands (as done in diis).
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2004-07-05 06:53:39 +00:00 |
diropn.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
divide.f90
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22 apr 2003 All setv statements in PW repalaced by f90 constructs.
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2003-04-22 16:03:45 +00:00 |
divide_et_impera.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
dndepsilon.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
dndtau.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
dprojdepsilon.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
dprojdtau.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
dqvan2.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
drhoc.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
dvloc_of_g.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
dynamics.f90
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Misc. cleanup; a few redundant routines moved to flib;
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2004-07-02 16:24:48 +00:00 |
efermig.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
efermit.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
electrons.f90
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oops ...
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2004-06-26 17:00:02 +00:00 |
eqvect.f90
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*** empty log message ***
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2004-03-15 07:59:07 +00:00 |
error_handler.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
estimate.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
|
2004-01-23 15:08:03 +00:00 |
ewald.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
ewald_dipole.f90
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Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
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2004-06-12 13:44:18 +00:00 |
fftw.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
force_cc.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
force_corr.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
force_ew.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
force_hub.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
force_lc.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
force_us.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
forces.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
functionals.f90
|
Updated functionals and installation mechanisms, ready for addition
|
2004-05-14 12:55:23 +00:00 |
g_psi.f90
|
Yet another version of the DIIS algorithm (it substitutes the previous one). This version is slower (but not dramatically) than davidson for small systems, faster for large systems (the cross-over is around 300 bands), but there is space for further improvements. A gamma-point version is also implemented (previously missing). An "holes-sniffer" is implemented to prevent holes in the eigenvalues spectrum.
|
2004-05-11 08:11:52 +00:00 |
g_psi_mod.f90
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Yet another version of the DIIS algorithm (it substitutes the previous one). This version is slower (but not dramatically) than davidson for small systems, faster for large systems (the cross-over is around 300 bands), but there is space for further improvements. A gamma-point version is also implemented (previously missing). An "holes-sniffer" is implemented to prevent holes in the eigenvalues spectrum.
|
2004-05-11 08:11:52 +00:00 |
gen_at_dj.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
gen_at_dy.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
gen_us_dj.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
gen_us_dy.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
ggen.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
gk_sort.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
gradcorr.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
gweights.f90
|
The array of communicators was non necessary (thanks to SdG): removed everywhere.
|
2004-03-24 16:30:44 +00:00 |
h_1psi.f90
|
Extensive module cleanup: DP moved from wrong place (parameters) to the
|
2004-01-23 15:08:03 +00:00 |
h_psi.f90
|
Modules becmod, rbecmod (one variable each) merged into a single module
|
2004-06-12 20:37:01 +00:00 |
hexsym.f90
|
added support for g95
|
2004-05-06 13:06:16 +00:00 |
hinit0.f90
|
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
|
2004-06-12 13:44:18 +00:00 |
hinit1.f90
|
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
|
2004-06-12 13:44:18 +00:00 |
init_at_1.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
init_ns.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
init_paw_1.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
init_paw_2.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
init_pool.f90
|
First clean-up of the parrallelism.
|
2004-06-21 10:12:52 +00:00 |
init_run.f90
|
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
|
2004-06-12 13:44:18 +00:00 |
init_us_1.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
init_us_2.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
init_vloc.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
input.f90
|
Cleanup: removed unused variables.
|
2004-07-05 06:50:22 +00:00 |
interpolate.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
io_pot.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
ions.f90
|
More module cleanup : pwcom no longer called in PW/
|
2004-01-24 15:43:09 +00:00 |
irrek.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
iweights.f90
|
Bug fix: non-collinear code was not working with insulators and nbnd > nelec/2.
|
2004-04-19 08:13:28 +00:00 |
kpoint_grid.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
lchk_tauxk.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
linmin.f90
|
Extensive module cleanup: DP moved from wrong place (parameters) to the
|
2004-01-23 15:08:03 +00:00 |
lsda_functionals.f90
|
Updated functionals and installation mechanisms, ready for addition
|
2004-05-14 12:55:23 +00:00 |
make_pointlists.f90
|
make_pointlists was not working with very strange atomic positions.
|
2004-07-09 13:40:54 +00:00 |
memory.f90
|
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
|
2004-06-12 13:44:18 +00:00 |
mix_pot.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
mix_rho.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
mode_group.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
move_ions.f90
|
Cleanup of the molecular dynamics routines. Some debug messages removed. Some duplicated variables (fixatom and if_pos) removed from pwcom (already present in ions_base). A logical variable lfixatom added in control_flags. The output of a molecular dynamics run has been slightlychanged to be (hopefully) clearer.
|
2004-06-11 16:53:16 +00:00 |
multable.f90
|
Extensive module cleanup: DP moved from wrong place (parameters) to the
|
2004-01-23 15:08:03 +00:00 |
n_plane_waves.f90
|
Extensive module cleanup: DP moved from wrong place (parameters) to the
|
2004-01-23 15:08:03 +00:00 |
new_ns.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
newd.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
noncol.f90
|
More uspp variables rearrangement (beware undesired side effects!)
|
2004-06-08 20:00:04 +00:00 |
ns_adj.f90
|
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
|
2004-06-12 13:44:18 +00:00 |
openfil.f90
|
io_base : added read and write of jchi and jjj (ADC)
|
2004-06-14 15:22:24 +00:00 |
ortho.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
orthoatwfc.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
output_tau.f90
|
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
|
2004-06-12 13:44:18 +00:00 |
para.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
paw.f90
|
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
|
2004-06-12 13:44:18 +00:00 |
potinit.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
print_clock_pw.f90
|
More USPP variables moving around
|
2004-06-01 21:22:19 +00:00 |
psymrho.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
punch.f90
|
io_base : added read and write of jchi and jjj (ADC)
|
2004-06-14 15:22:24 +00:00 |
pw_gemm.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
pwcom.f90
|
Cleanup and fixes of minor errors in phonon.
|
2004-07-09 15:50:50 +00:00 |
pwscf.f90
|
Cleanup: 'dispersion' removed from PW, is now entirely in PH
|
2004-06-30 17:56:05 +00:00 |
qvan2.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
rdiaghg.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
read_conf_from_file.f90
|
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
|
2004-06-12 13:44:18 +00:00 |
read_file.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
read_ncpp.f90
|
Part of the variables for ultrasoft pseudopotentials have been moved to a
|
2004-05-26 11:04:07 +00:00 |
read_pseudo.f90
|
more pseudopotential cleanup
|
2004-04-27 13:44:55 +00:00 |
readin.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
readnewvan.f90
|
More USPP_related variables moved to Modules/uspp.f90
|
2004-05-31 17:55:33 +00:00 |
readvan.f90
|
More USPP_related variables moved to Modules/uspp.f90
|
2004-05-31 17:55:33 +00:00 |
regterg.f90
|
In the diagonalization two different tresholds are used for occupied and empty bands (as done in diis).
|
2004-07-05 06:53:39 +00:00 |
remove_atomic_rho.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
reset_k_points.f90
|
PW, Gamma and NEB are now unified.
|
2003-12-10 14:57:07 +00:00 |
restart.f90
|
new fix for variable tetra
|
2004-07-01 15:16:00 +00:00 |
restart_from_file.f90
|
the new punch routine, which writes on the .save file (instead of .pun),
|
2004-05-07 17:21:24 +00:00 |
restart_in_electrons.f90
|
io_base : added read and write of jchi and jjj (ADC)
|
2004-06-14 15:22:24 +00:00 |
restart_in_ions.f90
|
24 May 2004 density/potential mixing procedure in presence of an electric
|
2004-05-24 16:00:40 +00:00 |
rgen.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
rho2zeta.f90
|
Extensive module cleanup: DP moved from wrong place (parameters) to the
|
2004-01-23 15:08:03 +00:00 |
rotate_wfc.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
rotate_wfc_gamma.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
ruotaijk.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
s_1psi.f90
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diis_module.f90 recoded.
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2004-06-26 16:48:36 +00:00 |
s_axis_to_ca.f90
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Cleanup: integer conversion to real performed with "dble" everywhere
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2004-04-03 13:24:17 +00:00 |
s_gemm.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-04 10:53:05 +00:00 |
s_psi.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
save_in_cbands.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
save_in_electrons.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
save_in_ions.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
scala_cdiag.f90
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Compilation fixes
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2004-06-10 17:19:58 +00:00 |
scala_cdiaghg.f90
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Compilation fixes
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2004-06-10 17:19:58 +00:00 |
scala_utils.f90
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22 apr 2003 All setv statements in PW repalaced by f90 constructs.
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2003-04-22 16:03:45 +00:00 |
scale_h.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
scopy_t3e.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
seqopn.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
set_fft_dim.f90
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References to brilz replaced everywhere by cell_base.
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2004-04-02 10:30:15 +00:00 |
set_hubbard_l.f90
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minor changes in LDA+U and formatting
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2003-02-25 13:43:33 +00:00 |
set_kplusb.f90
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Changes in pw to calculate the Raman tensor via the 2n+1 theorem.
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2004-05-25 14:22:43 +00:00 |
set_kplusq.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
set_kup_and_kdw.f90
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Merged noncolinear and colinear symmetries (routines sgama, irrek).
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2004-05-21 16:19:20 +00:00 |
set_rhoc.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
set_vrs.f90
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more noncolinear merge
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2004-05-13 20:50:14 +00:00 |
setlocal.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
setqf.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
setup.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
setupkpt.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
sgam_at.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
sgam_at_mag.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
sgam_ph.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
sgama.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
show_memory.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
smallg_q.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
sph_ind.f90
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Small changes. (a double return in ylmr2 and the error message in sph_ind).
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2004-06-04 16:05:57 +00:00 |
spinor.f90
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Added licence to the new routines and other small changes.
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2004-05-03 08:31:38 +00:00 |
startup.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
stop_pw.f90
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Calculation of the dynamical matrices for the dispersion
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2004-06-28 10:08:53 +00:00 |
stres_cc.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
stres_ewa.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
stres_gradcorr.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
stres_har.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
stres_hub.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
stres_knl.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
stres_loc.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
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2004-06-25 17:25:37 +00:00 |
stres_us.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
stress.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
struct_fact.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
sum_band.f90
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diis_module.f90 recoded.
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2004-06-26 16:48:36 +00:00 |
sumkg.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
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2004-01-23 15:08:03 +00:00 |
sumkt.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
|
2004-01-23 15:08:03 +00:00 |
summary.f90
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diis_module.f90 recoded.
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2004-06-26 16:48:36 +00:00 |
swap.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
|
2004-01-23 15:08:03 +00:00 |
symrho.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
symtns.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
symvect.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
symz.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
tabd.f90
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Part of the variables for ultrasoft pseudopotentials have been moved to a
|
2004-05-26 11:04:07 +00:00 |
trntns.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
|
2004-01-23 15:08:03 +00:00 |
trnvecc.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
trnvect.f90
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Extensive module cleanup: DP moved from wrong place (parameters) to the
|
2004-01-23 15:08:03 +00:00 |
tweights.f90
|
Extensive module cleanup: DP moved from wrong place (parameters) to the
|
2004-01-23 15:08:03 +00:00 |
update_pot.f90
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Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
updathes.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
upf_to_internal.f90
|
More USPP_related variables moved to Modules/uspp.f90
|
2004-05-31 17:55:33 +00:00 |
usnldiag.f90
|
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
|
2004-06-12 13:44:18 +00:00 |
v_of_rho.f90
|
Fixed a couple of ambiguities:
|
2004-06-11 07:48:24 +00:00 |
vcsmd.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
vcsubs.f90
|
small fix on some formats (1x in place of x) [Gerardo]
|
2004-05-06 11:00:16 +00:00 |
vhpsi.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
vloc_of_g.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
vloc_psi.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
vpack.f90
|
Extensive module cleanup: DP moved from wrong place (parameters) to the
|
2004-01-23 15:08:03 +00:00 |
w0gauss.f90
|
Cleanup: integer conversion to real performed with "dble" everywhere
|
2004-04-03 13:24:17 +00:00 |
w1gauss.f90
|
Cleanup: integer conversion to real performed with "dble" everywhere
|
2004-04-03 13:24:17 +00:00 |
wfcinit.f90
|
Machine-dependent definitions are now contained in two different files (both in /include):
|
2004-06-25 17:25:37 +00:00 |
wgauss.f90
|
Cleanup: integer conversion to real performed with "dble" everywhere
|
2004-04-03 13:24:17 +00:00 |
write_config_to_file.f90
|
the new punch routine, which writes on the .save file (instead of .pun),
|
2004-05-07 17:21:24 +00:00 |
write_ns.f90
|
Removed references (not yet everywhere) to module basis for those variables already in module ions_base.
|
2004-06-12 13:44:18 +00:00 |
wsweight.f90
|
Cleanup: integer conversion to real performed with "dble" everywhere
|
2004-04-03 13:24:17 +00:00 |