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Makefile
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- makefile update after yesterday changes
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2005-08-09 07:34:23 +00:00 |
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add_dkmds.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:01:19 +00:00 |
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add_for_charges.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:01:19 +00:00 |
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add_zstar_ue.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 |
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add_zstar_ue_us.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:01:19 +00:00 |
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addcore.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 |
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adddvepsi_us.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:01:19 +00:00 |
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adddvscf.f90
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variable "okvan" moved to module "uspp" + minor cleanup
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2005-03-28 13:55:19 +00:00 |
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addnlcc.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 |
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addnlcc_zstar_eu_us.f90
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Old parallel variables (such as me mypool) removed from PH.
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2004-11-03 10:58:17 +00:00 |
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addusdbec.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 |
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addusddens.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 |
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addusddense.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 |
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addusdynmat.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 |
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addusldos.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 |
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allocate_part.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 |
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allocate_phq.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
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bcast_ph_input.f90
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Updated documentation for simplified interatomic force constants calculation
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2005-07-20 14:57:21 +00:00 |
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bcast_ph_input1.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 |
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cft_wave.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
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cg_psi.f90
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PH: cleanup of cgsolve_all in order to reduce memory use.
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2004-05-31 16:19:23 +00:00 |
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cgsolve_all.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 |
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ch_psi_all.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 |
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chi_test.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
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close_phq.f90
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variable "okvan" moved to module "uspp" + minor cleanup
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2005-03-28 13:55:19 +00:00 |
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compute_alphasum.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 |
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compute_becalp.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 |
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compute_becsum.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 |
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compute_drhous.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
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compute_dvloc.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 |
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compute_nldyn.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 |
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compute_qdipol.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:01:19 +00:00 |
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compute_weight.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 |
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d2ionq.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 |
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d2mxc.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
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davcio_drho.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 |
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deallocate_part.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:01:19 +00:00 |
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deallocate_phq.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:01:19 +00:00 |
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dgcxc.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 |
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dgcxc_spin.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 |
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dgradcorr.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 |
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dhdrhopsi.f90
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More minor changes to restart, cpu time printout
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2005-04-21 14:37:21 +00:00 |
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dielec.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 |
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dielec_test.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
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dmxc.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 |
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dmxc_spin.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 |
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drho.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
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drhodv.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 |
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drhodvloc.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 |
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drhodvnl.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 |
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drhodvus.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 |
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dv_of_drho.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 |
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dvanqq.f90
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Memory leak in Raman code fixed
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2004-11-18 14:47:19 +00:00 |
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dvkb3.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:01:19 +00:00 |
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dvpsi_e.f90
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The new subroutine flush_unit() is used everywhere. C.S.
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2005-05-25 02:58:35 +00:00 |
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dvpsi_e2.f90
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More minor changes to restart, cpu time printout
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2005-04-21 14:37:21 +00:00 |
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dvqpsi_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 |
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dvqpsi_us_only.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 |
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dyndia.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 |
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dynmat0.f90
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iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used
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2004-12-10 15:20:46 +00:00 |
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dynmat_us.f90
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Old parallel variables (such as me mypool) removed from PH.
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2004-11-03 10:58:17 +00:00 |
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dynmatcc.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 |
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dynmatrix.f90
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Minor changes to printout of Raman coeffcients
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2005-05-18 17:47:38 +00:00 |
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ef_shift.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 |
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el_opt.f90
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More minor changes to restart, cpu time printout
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2005-04-21 14:37:21 +00:00 |
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elph.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 |
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elphon.f90
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q_points: unit iudyn was undefined on entry
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2005-08-01 09:23:50 +00:00 |
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h_psiq.f90
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becp = <beta|psi> allocated only when needed (except in phonon where it is
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2004-05-11 21:08:21 +00:00 |
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hdiag.f90
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Raman working again -mMiscellaneous cleanup and attempts to speed yp
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2005-04-15 15:43:33 +00:00 |
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incdrhoscf.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 |
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incdrhous.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 |
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io_pattern.f90
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uffa...
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2005-04-21 14:58:35 +00:00 |
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localdos.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 |
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newdq.f90
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bug fix in phonon code.
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2005-01-11 09:15:56 +00:00 |
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openfilq.f90
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Updated documentation for simplified interatomic force constants calculation
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2005-07-20 14:57:21 +00:00 |
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pcgreen.f90
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Raman working again -mMiscellaneous cleanup and attempts to speed yp
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2005-04-15 15:43:33 +00:00 |
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phcom.f90
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Less buggy Raman restart - not yet final
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2005-04-21 12:41:18 +00:00 |
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phonon.f90
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seqopn.f90 and diropn.f90 modified in such a way that the name of
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2005-06-17 13:27:38 +00:00 |
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phq_init.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 |
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phq_readin.f90
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Updated documentation for simplified interatomic force constants calculation
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2005-07-20 14:57:21 +00:00 |
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phq_recover.f90
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Updated documentation for simplified interatomic force constants calculation
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2005-07-20 14:57:21 +00:00 |
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phq_setup.f90
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Raman working again -mMiscellaneous cleanup and attempts to speed yp
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2005-04-15 15:43:33 +00:00 |
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phq_summary.f90
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Updated documentation for simplified interatomic force constants calculation
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2005-07-20 14:57:21 +00:00 |
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phqscf.f90
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More minor changes to restart, cpu time printout
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2005-04-21 14:37:21 +00:00 |
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print_clock_ph.f90
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More minor changes to restart, cpu time printout
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2005-04-21 14:37:21 +00:00 |
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psidspsi.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 |
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psymdvscf.f90
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Some undeclared variables explicitly declared.
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2004-11-16 13:27:56 +00:00 |
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psyme.f90
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Some undeclared variables explicitly declared.
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2004-11-16 13:27:56 +00:00 |
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psyme2.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
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punch_plot_e.f90
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Delta rho should be symmetrized before it is written.
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2005-03-08 11:44:57 +00:00 |
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punch_plot_ph.f90
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Old parallel variables (such as me mypool) removed from PH.
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2004-11-03 10:58:17 +00:00 |
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q2qstar_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 |
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q_points.f90
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q_points: unit iudyn was undefined on entry
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2005-08-01 09:23:50 +00:00 |
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raman.f90
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Updated documentation for simplified interatomic force constants calculation
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2005-07-20 14:57:21 +00:00 |
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raman_mat.f90
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Minor changes to printout of Raman coeffcients
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2005-05-18 17:47:38 +00:00 |
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ramanm.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
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random_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 |
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rotate_and_add_dyn.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 |
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set_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 |
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set_dvscf.f90
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Delta rho should be symmetrized before it is written.
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2005-03-08 11:44:57 +00:00 |
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set_irr.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 |
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set_irr_mode.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 |
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set_irr_nosym.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 |
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setlocq.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 |
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setqmod.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 |
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setup_dgc.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 |
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smallgq.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
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solve_e.f90
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seqopn.f90 and diropn.f90 modified in such a way that the name of
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2005-06-17 13:27:38 +00:00 |
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solve_e2.f90
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seqopn.f90 and diropn.f90 modified in such a way that the name of
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2005-06-17 13:27:38 +00:00 |
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solve_e_nscf.f90
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Raman working again -mMiscellaneous cleanup and attempts to speed yp
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2005-04-15 15:43:33 +00:00 |
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solve_linter.f90
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seqopn.f90 and diropn.f90 modified in such a way that the name of
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2005-06-17 13:27:38 +00:00 |
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star_q.f90
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iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used
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2004-12-10 15:20:46 +00:00 |
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stop_ph.f90
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iswitch flag removed; appropriate flags (as lscf, lmd, lphonon, etc.) should be used
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2004-12-10 15:20:46 +00:00 |
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sym_and_write_zue.f90
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small change in output format [Gerardo]
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2004-07-14 14:23:51 +00:00 |
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sym_def.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
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sym_elop.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
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symdvscf.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
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symdyn_munu.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 |
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symdynph_gq.f90
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Added optimized support for ALTIX machines - contributed by Martin Hilgeman
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2005-01-07 12:57:41 +00:00 |
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syme.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 |
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syme2.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
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symram.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
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tra_write_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 |
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trntnsc.f90
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Patches from Axel Kohlmayer:
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2004-10-26 09:32:48 +00:00 |
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trntnsr_3.f90
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Raman calculation with 2nd-order response by Michele Lazzeri added
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2005-03-04 17:46:02 +00:00 |
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write_dyn_on_file.f90
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PH: cleanup of cgsolve_all in order to reduce memory use.
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2004-05-31 16:19:23 +00:00 |
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write_epsilon_and_zeu.f90
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small change in output format [Gerardo]
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2004-07-14 14:23:51 +00:00 |
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write_matrix.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 |
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write_ramtns.f90
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Minor changes to printout of Raman coeffcients
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2005-05-18 17:47:38 +00:00 |
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zstar_eu.f90
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writting Z* in proper way
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2004-08-27 09:00:02 +00:00 |
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zstar_eu_us.f90
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Added copyright notice where missing (please check)
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2005-03-21 14:01:19 +00:00 |
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