| .. |
|
Makefile
|
- unit 6 replaced by stdout in CPV
|
2003-11-09 10:42:50 +00:00 |
|
aainit.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
add_efield.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
add_vuspsi.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
addusdens.f90
|
- unit 6 replaced by stdout in CPV
|
2003-11-09 10:42:50 +00:00 |
|
addusforce.f90
|
file addusforce of noncolin unified with the one in collinear version.
|
2003-11-06 16:39:22 +00:00 |
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addusstress.f90
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module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
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allocate_fft.f90
|
- unit 6 replaced by stdout in CPV
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2003-11-09 10:42:50 +00:00 |
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allocate_locpot.f90
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Some cleanup in ggen, __OLD_GGEN stuff removed,
|
2003-05-05 16:10:51 +00:00 |
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allocate_nlpot.f90
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In allocate_nlpot arrays ns and nsnew are allocated also when lda_plus_u = .FALSE.
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2003-10-28 10:28:16 +00:00 |
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allocate_wfc.f90
|
- unit 6 replaced by stdout in CPV
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2003-11-09 10:42:50 +00:00 |
|
atomic_rho.f90
|
- unit 6 replaced by stdout in CPV
|
2003-11-09 10:42:50 +00:00 |
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atomic_wfc.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
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bachel.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
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becmod.f90
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Added SAVE to all modules
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2003-10-17 12:03:47 +00:00 |
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bfgs.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 |
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bp_bess.f
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*** empty log message ***
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2003-06-11 20:07:53 +00:00 |
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bp_c_phase.f90
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- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
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bp_calc_btq.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 |
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bp_dbess.f
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*** empty log message ***
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2003-06-11 20:07:53 +00:00 |
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bp_qvan3.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 |
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bp_radin.f
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*** empty log message ***
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2003-06-11 20:07:53 +00:00 |
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bp_strings.f90
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*** empty log message ***
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2003-06-11 20:47:57 +00:00 |
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bp_ylm_q.f
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*** empty log message ***
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2003-06-11 20:07:53 +00:00 |
|
bp_zgedi.f
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*** empty log message ***
|
2003-06-11 20:07:53 +00:00 |
|
bp_zgefa.f
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*** empty log message ***
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2003-06-11 20:07:53 +00:00 |
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broadcast.f90
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option -D__LAM was not working in same cases (Michele)
|
2003-10-28 18:15:32 +00:00 |
|
c_bands.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
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2003-11-09 18:30:08 +00:00 |
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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 |
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ccalbec.f90
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Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
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2003-02-21 14:57:00 +00:00 |
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ccgdiagg.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 |
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cdiagh.f90
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"configure" bug for pc cluster and intel 6
|
2003-03-10 14:49:21 +00:00 |
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cdiaghg.f90
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bug fix, or most likely compiler bug workaround,
|
2003-06-12 21:32:44 +00:00 |
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cdiisg.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
cegterg.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
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cft3.f90
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Wrong coordinates written if atomic_positions='crystal'
|
2003-09-17 08:36:08 +00:00 |
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cft3s.f90
|
Fixed recently introduced memory leak, some cleanup,
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2003-07-21 13:35:53 +00:00 |
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cft_3.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
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cft_fftw.f90
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punch_band.f90 works in parallel. Misc cleanup. "aceived" => "achieved"
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2003-08-20 16:16:26 +00:00 |
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cft_sgi.f90
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CPP macro ORIGIN and SGI changed to __ORIGIN and __SGI
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2003-02-25 22:45:04 +00:00 |
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cft_sp.f90
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- AIX changed in __AIX
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2003-02-23 11:34:24 +00:00 |
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cft_sun.f90
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Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
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2003-02-21 14:57:00 +00:00 |
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cft_t3e.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
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cfts_3.f90
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punch_band.f90 works in parallel. Misc cleanup. "aceived" => "achieved"
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2003-08-20 16:16:26 +00:00 |
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cgather_sym.f90
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Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
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cgramg1.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
check.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
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checkallsym.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
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checksym.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
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cinitcgg.f90
|
In cinitcgg, the array e must be dimensioned e(nbnd), not e(nstart)
|
2003-06-13 07:19:54 +00:00 |
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clean_pw.f90
|
- unit 6 replaced by stdout in CPV
|
2003-11-09 10:42:50 +00:00 |
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compute_dip.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
constrain.f90
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22 apr 2003 All setv statements in PW repalaced by f90 constructs.
|
2003-04-22 16:03:45 +00:00 |
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conv_to_num.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
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coset.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
cryst_to_car.f90
|
Atomic positions are written in a relaxation run in input units
|
2003-07-11 15:16:00 +00:00 |
|
cubicsym.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
d_matrix.f90
|
27 feb 2003 Bug in PW/new_ns.f90 (Lixin He) fixed
|
2003-02-27 10:00:00 +00:00 |
|
data_structure.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
date_and_tim.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
davcio.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
delta_e.f90
|
*** empty log message ***
|
2003-11-19 13:08:23 +00:00 |
|
deriv_drhoc.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
diropn.f90
|
different modules containing filenames and directories
|
2003-09-23 14:45:12 +00:00 |
|
divide.f90
|
22 apr 2003 All setv statements in PW repalaced by f90 constructs.
|
2003-04-22 16:03:45 +00:00 |
|
divide_et_impera.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
dndepsilon.f90
|
- unit 6 replaced by stdout in CPV
|
2003-11-09 10:42:50 +00:00 |
|
dndtau.f90
|
- unit 6 replaced by stdout in CPV
|
2003-11-09 10:42:50 +00:00 |
|
dprojdepsilon.f90
|
- unit 6 replaced by stdout in CPV
|
2003-11-09 10:42:50 +00:00 |
|
dprojdtau.f90
|
- unit 6 replaced by stdout in CPV
|
2003-11-09 10:42:50 +00:00 |
|
dqvan2.f90
|
22 apr 2003 All setv statements in PW repalaced by f90 constructs.
|
2003-04-22 16:03:45 +00:00 |
|
drhoc.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
dsum.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
dvloc_of_g.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
dylmr2.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
dynamics.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
efermig.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
efermit.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
electrons.f90
|
Compilation problems (residual "units" modules) fixed
|
2003-11-10 08:30:54 +00:00 |
|
eqvect.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
error.f90
|
Error messages are written on unit = *.
|
2003-11-04 13:05:00 +00:00 |
|
error_handler.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
estimate.f90
|
22 apr 2003 All setv statements in PW repalaced by f90 constructs.
|
2003-04-22 16:03:45 +00:00 |
|
ewald.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
fft_scatter.f90
|
22 apr 2003 All setv statements in PW repalaced by f90 constructs.
|
2003-04-22 16:03:45 +00:00 |
|
fftw.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
force_cc.f90
|
- unit 6 replaced by stdout in CPV
|
2003-11-09 10:42:50 +00:00 |
|
force_corr.f90
|
- unit 6 replaced by stdout in CPV
|
2003-11-09 10:42:50 +00:00 |
|
force_ew.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
force_hub.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
force_lc.f90
|
22 apr 2003 All setv statements in PW repalaced by f90 constructs.
|
2003-04-22 16:03:45 +00:00 |
|
force_us.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
forces.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
funct.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
functionals.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
g_psi.f90
|
Iterative diag for Gamma case updated - comments, indent etc.
|
2003-04-09 13:58:05 +00:00 |
|
g_psi_mod.f90
|
08 apr 2003 g_psi, g_psi_mod: new preconditioning (better behaved when
|
2003-04-08 06:44:33 +00:00 |
|
gather.f90
|
misc. cleanup, postprocessing adapted to last changes
|
2003-10-03 16:47:21 +00:00 |
|
gen_at_dj.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
gen_at_dy.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
gen_us_dj.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
gen_us_dy.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
ggen.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
gk_sort.f90
|
cell parameters in the case ibrav=0 back to previous convention
|
2003-07-28 15:03:32 +00:00 |
|
gradcorr.f90
|
Several Gamma-specific routines merged into PW/
|
2003-10-29 18:53:40 +00:00 |
|
gweights.f90
|
D3/Makefile : missing add_efield added
|
2003-04-07 12:55:29 +00:00 |
|
h_1psi.f90
|
Davidson modified to use less memory in non-US calculations
|
2003-05-22 10:18:38 +00:00 |
|
h_psi.f90
|
- unit 6 replaced by stdout in CPV
|
2003-11-09 10:42:50 +00:00 |
|
hexsym.f90
|
Version number centralized in Modules/version.f90, updated to 1.3.0
|
2003-08-29 17:15:25 +00:00 |
|
hinit0.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
hinit1.f90
|
Davidson modified to use less memory in non-US calculations
|
2003-05-22 10:18:38 +00:00 |
|
init_ns.f90
|
30 Jul 2003 indexing of the occupation matrices (ns,nsnew, etc) used in
|
2003-07-31 12:54:09 +00:00 |
|
init_pool.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
init_run.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
init_us_1.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
init_us_2.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
init_vloc.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
input.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
interpolate.f90
|
Several Gamma-specific routines merged into PW/
|
2003-10-29 18:53:40 +00:00 |
|
invmat.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
io_pot.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
ions.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
irrek.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
iweights.f90
|
D3/Makefile : missing add_efield added
|
2003-04-07 12:55:29 +00:00 |
|
kpoint_grid.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
lchk_tauxk.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
linmin.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
lsda_functionals.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
maximum.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
memory.f90
|
Cleanup
|
2003-11-14 14:04:27 +00:00 |
|
mix_pot.f90
|
MKL problem fixed (maybe)
|
2003-05-12 12:31:34 +00:00 |
|
mix_rho.f90
|
df_ns and dv_ns types changed from complex to real.
|
2003-11-17 09:25:28 +00:00 |
|
mode_group.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
move_ions.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
multable.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
n_plane_waves.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
new_ns.f90
|
- unit 6 replaced by stdout in CPV
|
2003-11-09 10:42:50 +00:00 |
|
newd.f90
|
- unit 6 replaced by stdout in CPV
|
2003-11-09 10:42:50 +00:00 |
|
noncol.f90
|
error in the module name fixed
|
2003-11-05 17:52:13 +00:00 |
|
openfil.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
ortho.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
orthoatwfc.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
output_tau.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
para.f90
|
Added SAVE to all modules
|
2003-10-17 12:03:47 +00:00 |
|
poolbcast.f90
|
option -D__LAM was not working in same cases (Michele)
|
2003-10-28 18:15:32 +00:00 |
|
poolextreme.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
poolrecover.f90
|
option -D__LAM was not working in same cases (Michele)
|
2003-10-28 18:15:32 +00:00 |
|
poolreduce.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
poolscatter.f90
|
poolscatter needs to distribute k-points related stuff (et and wg) with the
|
2003-10-15 11:43:19 +00:00 |
|
potinit.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
print_clock_pw.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
psymrho.f90
|
Fixed recently introduced memory leak, some cleanup,
|
2003-07-21 13:35:53 +00:00 |
|
punch.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
pwcom.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
pwscf.f90
|
minor things: "external ::", examples for noncolinear case
|
2003-10-28 08:05:14 +00:00 |
|
qvan2.f90
|
An IF statement (line 119) that causes an array ot of bound exception on alpha
|
2003-11-18 18:33:31 +00:00 |
|
random.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
read_conf_from_file.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
read_file.f90
|
misc. cleanup, postprocessing adapted to last changes
|
2003-10-03 16:47:21 +00:00 |
|
read_ncpp.f90
|
22 apr 2003 All setv statements in PW repalaced by f90 constructs.
|
2003-04-22 16:03:45 +00:00 |
|
read_pseudo.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
readin.f90
|
different modules containing filenames and directories
|
2003-09-23 14:45:12 +00:00 |
|
readnewvan.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
readvan.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
reduce.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
remove_atomic_rho.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
restart.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
restart_from_file.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
restart_in_electrons.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
restart_in_ions.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
rgen.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
rho2zeta.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
rotate_wfc.f90
|
Davidson modified to use less memory in non-US calculations
|
2003-05-22 10:18:38 +00:00 |
|
ruotaijk.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
s_1psi.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
s_axis_to_ca.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
s_gemm.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
s_psi.f90
|
Minor cleanup
|
2003-05-28 14:53:30 +00:00 |
|
save_in_cbands.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
save_in_electrons.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
save_in_ions.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
saveall.f90
|
different modules containing filenames and directories
|
2003-09-23 14:45:12 +00:00 |
|
scala_cdiag.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
scala_cdiaghg.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
scala_utils.f90
|
22 apr 2003 All setv statements in PW repalaced by f90 constructs.
|
2003-04-22 16:03:45 +00:00 |
|
scale_h.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
scatter.f90
|
misc. cleanup, postprocessing adapted to last changes
|
2003-10-03 16:47:21 +00:00 |
|
scopy_t3e.f90
|
Misc. installation and doc fixes
|
2003-02-27 13:59:04 +00:00 |
|
seqopn.f90
|
different modules containing filenames and directories
|
2003-09-23 14:45:12 +00:00 |
|
set_fft_dim.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
set_hubbard_l.f90
|
minor changes in LDA+U and formatting
|
2003-02-25 13:43:33 +00:00 |
|
set_kplusq.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
set_kup_and_kdw.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
set_rhoc.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
set_vrs.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
setlocal.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
setqf.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
setup.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
setupkpt.f90
|
22 apr 2003 All setv statements in PW repalaced by f90 constructs.
|
2003-04-22 16:03:45 +00:00 |
|
sgam_at.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
sgam_ph.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
sgama.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
show_memory.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
smallg_q.f90
|
22 apr 2003 All setv statements in PW repalaced by f90 constructs.
|
2003-04-22 16:03:45 +00:00 |
|
startup.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
stop_pw.f90
|
Compilation problems (residual "units" modules) fixed
|
2003-11-10 08:30:54 +00:00 |
|
stres_cc.f90
|
- unit 6 replaced by stdout in CPV
|
2003-11-09 10:42:50 +00:00 |
|
stres_ewa.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
stres_gradcorr.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
stres_har.f90
|
- unit 6 replaced by stdout in CPV
|
2003-11-09 10:42:50 +00:00 |
|
stres_hub.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
stres_knl.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
stres_loc.f90
|
- unit 6 replaced by stdout in CPV
|
2003-11-09 10:42:50 +00:00 |
|
stres_us.f90
|
- unit 6 replaced by stdout in CPV
|
2003-11-09 10:42:50 +00:00 |
|
stress.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
struct_fact.f90
|
more cleanup, mainly in PH dir
|
2003-04-29 11:20:28 +00:00 |
|
sum_band.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
sumkg.f90
|
D3/Makefile : missing add_efield added
|
2003-04-07 12:55:29 +00:00 |
|
sumkt.f90
|
D3/Makefile : missing add_efield added
|
2003-04-07 12:55:29 +00:00 |
|
summary.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
swap.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
symrho.f90
|
misc. cleanup, postprocessing adapted to last changes
|
2003-10-03 16:47:21 +00:00 |
|
symtns.f90
|
22 apr 2003 All setv statements in PW repalaced by f90 constructs.
|
2003-04-22 16:03:45 +00:00 |
|
symvect.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
tabd.f90
|
minor changes in LDA+U and formatting
|
2003-02-25 13:43:33 +00:00 |
|
trntns.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
trnvecc.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
trnvect.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
tweights.f90
|
D3/Makefile : missing add_efield added
|
2003-04-07 12:55:29 +00:00 |
|
update_pot.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
updathes.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
upf_to_internal.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
usnldiag.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
v_of_rho.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
vcsmd.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
vcsubs.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
vhpsi.f90
|
30 Jul 2003 indexing of the occupation matrices (ns,nsnew, etc) used in
|
2003-07-31 12:54:09 +00:00 |
|
vloc_of_g.f90
|
obsolete core-charge only term (etxcc) removed from bfgs.f90, set_rhoc.f90
|
2003-03-13 18:20:45 +00:00 |
|
vpack.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
|
w0gauss.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
w1gauss.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
wfcinit.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
wgauss.f90
|
module allocate, calls to mallocate, mfree removed
|
2003-02-07 16:04:36 +00:00 |
|
which_dft.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
write_config_to_file.f90
|
- bug (alpha compiler) reported by Sergey has been fixed
|
2003-11-09 18:30:08 +00:00 |
|
write_ns.f90
|
Unit stdout (set in Modules/io_global.f90) is used to write on standard output
|
2003-11-04 10:53:05 +00:00 |
|
wsweight.f90
|
Energy and forces with a finite electric field.
|
2003-06-30 14:09:05 +00:00 |
|
ylmr2.f90
|
Support for lahey compiler added: "error" renamed to "errore", "rnd" to "rndx"
|
2003-02-21 14:57:00 +00:00 |
8e19250404