.. |
Makefile
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PH and D3 adapted to the new PW routines.
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2003-12-10 16:26:35 +00:00 |
add_dkmds.f90
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- unit 6 replaced by stdout in CPV
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2003-11-09 10:42:50 +00:00 |
add_for_charges.f90
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speed-up of z* calculation
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2003-10-24 15:57:43 +00:00 |
add_zstar_ue.f90
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- bug (alpha compiler) reported by Sergey has been fixed
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2003-11-09 18:30:08 +00:00 |
add_zstar_ue_us.f90
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- bug (alpha compiler) reported by Sergey has been fixed
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2003-11-09 18:30:08 +00:00 |
addcore.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
adddvepsi_us.f90
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Bug fix in the dielectric constant with US-PP. A factor i was not needed.
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2003-09-02 12:16:45 +00:00 |
adddvscf.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
addnlcc.f90
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16 Oct 2003 US effective charges now available in the phonon code.
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2003-10-16 14:39:25 +00:00 |
addnlcc_zstar_eu_us.f90
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speed-up of z* calculation
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2003-10-24 15:57:43 +00:00 |
addusdbec.f90
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phonon: added comments to remind why dbecsum is summed
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2003-10-15 11:40:07 +00:00 |
addusddens.f90
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- unit 6 replaced by stdout in CPV
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2003-11-09 10:42:50 +00:00 |
addusddense.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
addusdynmat.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 |
addusldos.f90
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some pointers converted to allocatable (Michele)
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2003-11-12 14:18:00 +00:00 |
allocate_part.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
allocate_phq.f90
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- unit 6 replaced by stdout in CPV
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2003-11-09 10:42:50 +00:00 |
bcast_ph_input.f90
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Documentation updated to reflect merge of Gamma and k-point versions
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2003-12-11 11:10:03 +00:00 |
bcast_ph_input1.f90
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calls to mpi_bcast replaced by calls to interface mp_bicast
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2003-03-24 15:25:17 +00:00 |
cg_psi.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
cgsolve_all.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
ch_psi_all.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 |
compute_alphasum.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
compute_becalp.f90
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- bug (alpha compiler) reported by Sergey has been fixed
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2003-11-09 18:30:08 +00:00 |
compute_becsum.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
compute_drhous.f90
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- bug (alpha compiler) reported by Sergey has been fixed
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2003-11-09 18:30:08 +00:00 |
compute_dvloc.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
compute_nldyn.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 |
compute_qdipol.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
compute_weight.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
d2ionq.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
davcio_drho.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 |
dgcxc.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
dgcxc_spin.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
dgradcorr.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
dielec.f90
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- bug (alpha compiler) reported by Sergey has been fixed
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2003-11-09 18:30:08 +00:00 |
dmxc.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
dmxc_spin.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
drho.f90
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phonon: added comments to remind why dbecsum is summed
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2003-10-15 11:40:07 +00:00 |
drhodv.f90
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- bug (alpha compiler) reported by Sergey has been fixed
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2003-11-09 18:30:08 +00:00 |
drhodvloc.f90
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solo piccole riformattazioni per aumentare la leggibilita`
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2003-04-07 14:13:17 +00:00 |
drhodvnl.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 |
drhodvus.f90
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some pointers converted to allocatable (Michele)
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2003-11-12 14:18:00 +00:00 |
dv_of_drho.f90
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more cleanup, mainly in PH dir
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2003-04-29 11:20:28 +00:00 |
dvanqq.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
dvkb3.f90
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- unit 6 replaced by stdout in CPV
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2003-11-09 10:42:50 +00:00 |
dvpsi_e.f90
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- unit 6 replaced by stdout in CPV
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2003-11-09 10:42:50 +00:00 |
dvqpsi_us.f90
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some pointers converted to allocatable (Michele)
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2003-11-12 14:18:00 +00:00 |
dvqpsi_us_only.f90
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some pointers converted to allocatable (Michele)
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2003-11-12 14:18:00 +00:00 |
dyndia.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
dynmat0.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 |
dynmat_us.f90
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- bug (alpha compiler) reported by Sergey has been fixed
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2003-11-09 18:30:08 +00:00 |
dynmatcc.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 |
dynmatrix.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
ef_shift.f90
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- unit 6 replaced by stdout in CPV
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2003-11-09 10:42:50 +00:00 |
elph.f90
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Added SAVE to all modules
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2003-10-17 12:03:47 +00:00 |
elphon.f90
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- bug (alpha compiler) reported by Sergey has been fixed
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2003-11-09 18:30:08 +00:00 |
h_psiq.f90
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- unit 6 replaced by stdout in CPV
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2003-11-09 10:42:50 +00:00 |
incdrhoscf.f90
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- unit 6 replaced by stdout in CPV
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2003-11-09 10:42:50 +00:00 |
incdrhous.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 |
io_pattern.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
localdos.f90
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- bug (alpha compiler) reported by Sergey has been fixed
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2003-11-09 18:30:08 +00:00 |
newdq.f90
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more cleanup, mainly in PH dir
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2003-04-29 11:20:28 +00:00 |
openfilq.f90
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Documentation updated to reflect merge of Gamma and k-point versions
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2003-12-11 11:10:03 +00:00 |
phcom.f90
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speed-up of z* calculation
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2003-10-24 15:57:43 +00:00 |
phonon.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
phq_init.f90
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- bug (alpha compiler) reported by Sergey has been fixed
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2003-11-09 18:30:08 +00:00 |
phq_readin.f90
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16 Oct 2003 US effective charges now available in the phonon code.
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2003-10-16 14:39:25 +00:00 |
phq_recover.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
phq_setup.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
phq_summary.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
phqscf.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
print_clock_ph.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
psidspsi.f90
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- unit 6 replaced by stdout in CPV
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2003-11-09 10:42:50 +00:00 |
psymdvscf.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 |
psyme.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 |
punch_plot_e.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
punch_plot_ph.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
q2qstar_ph.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 |
random_matrix.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
rotate_and_add_dyn.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
set_drhoc.f90
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speed-up of z* calculation
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2003-10-24 15:57:43 +00:00 |
set_irr.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
set_irr_mode.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
set_irr_nosym.f90
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Fixed recently introduced memory leak, some cleanup,
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2003-07-21 13:35:53 +00:00 |
setlocq.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
setqmod.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
setup_dgc.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
setv.f90
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many calls to "setv" replaced by f90 assignements
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2003-09-17 21:50:03 +00:00 |
smallgq.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
solve_e.f90
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some pointers converted to allocatable (Michele)
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2003-11-12 14:18:00 +00:00 |
solve_linter.f90
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- bug (alpha compiler) reported by Sergey has been fixed
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2003-11-09 18:30:08 +00:00 |
star_q.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
stop_ph.f90
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- bug (alpha compiler) reported by Sergey has been fixed
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2003-11-09 18:30:08 +00:00 |
sym_and_write_zue.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
sym_def.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
symdvscf.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
symdyn_munu.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
symdynph_gq.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
syme.f90
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some pointers converted to allocatable (Michele)
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2003-11-12 14:18:00 +00:00 |
symz.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
tra_write_matrix.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
trntnsc.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
write_dyn_on_file.f90
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module allocate, calls to mallocate, mfree removed
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2003-02-07 16:04:36 +00:00 |
write_epsilon_and_zeu.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
write_matrix.f90
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Unit stdout (set in Modules/io_global.f90) is used to write on standard output
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2003-11-05 19:01:20 +00:00 |
zstar_eu.f90
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- bug (alpha compiler) reported by Sergey has been fixed
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2003-11-09 18:30:08 +00:00 |
zstar_eu_us.f90
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- bug (alpha compiler) reported by Sergey has been fixed
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2003-11-09 18:30:08 +00:00 |