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Makefile
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- obsolete subroutine removed
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2009-09-12 09:13:40 +00:00 |
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adjef.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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atoms_type.f90
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- static arrays dimensioned with natx removed
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2006-03-24 18:51:06 +00:00 |
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berryion.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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bforceion.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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cg.f90
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wraper.f90 was actually already unused
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2009-04-05 08:47:35 +00:00 |
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cg_sub.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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cglib.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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chargedensity.f90
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- removing obsolete file
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2009-09-09 21:40:33 +00:00 |
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compute_fes_grads.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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compute_scf.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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cp_autopilot.f90
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Added more functionality to the Nose-Hoover thermostats. Now one can have thermostats for only desired parts of the system. In addition, it is possible to scale thermostats' target energies for the case when some degrees of freedom were removed.
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2008-04-09 23:39:53 +00:00 |
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cp_emass.f90
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- some verbosity issues fixed
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2009-08-30 09:33:57 +00:00 |
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cp_fpmd.f90
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- when reporting G vectors distribution
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2009-08-05 13:54:59 +00:00 |
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cp_interfaces.f90
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- obsolete subroutine removed
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2009-09-08 16:27:33 +00:00 |
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cp_restart.f90
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- BUG FIX. lambda matrix was not read properly upon restart in LSD
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2009-09-06 17:22:05 +00:00 |
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cp_version.f90
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Misc cleanud and removal of old/obsolete/mysterious preprocessing
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2006-01-24 15:54:22 +00:00 |
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cplib.f90
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- some verbosity issues fixed
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2009-08-30 09:33:57 +00:00 |
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cplib_meta.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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cpr.f90
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CP: one more bug in velocity rescaling; unused file removed; daily test
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2009-09-07 08:35:48 +00:00 |
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cpr_mod.f90
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- unused subroutine removed
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2007-03-05 10:16:05 +00:00 |
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cprstart.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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cprsub.f90
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- some verbosity issues fixed
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2009-08-30 09:33:57 +00:00 |
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dealloc.f90
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- obsolete subroutine removed
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2009-09-08 16:27:33 +00:00 |
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dforceb.f90
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- Explicit MPI_XXXX calls substituted by calls to "mp" wrappers.
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2009-01-12 17:25:16 +00:00 |
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efermi.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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efield.f90
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*** empty log message ***
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2008-05-15 15:06:05 +00:00 |
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eigs0.f90
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- cleanup of scalapack and other linear algebra subroutines
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2008-12-08 12:55:54 +00:00 |
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electrons.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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emptystates.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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ensemble_dft.f90
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Bug corrected for cg and ensemble dft calculations.
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2008-06-27 10:45:32 +00:00 |
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entropy.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
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environment.f90
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- print out the number of threads, when QE is compiled with OpenMP
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2009-05-31 07:57:17 +00:00 |
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exch_corr.f90
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- some verbosity issues fixed
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2009-08-30 09:33:57 +00:00 |
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fft.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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forceconv.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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forces.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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fpmdpp.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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fromscra.f90
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- cleanup of stdout
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2009-09-06 17:22:31 +00:00 |
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gradrho.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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gtable.f90
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- Explicit MPI_XXXX calls substituted by calls to "mp" wrappers.
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2009-01-12 17:25:16 +00:00 |
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indices.f90
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dbl => DP (defined as previously dbl was)
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2005-08-28 14:09:42 +00:00 |
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init.f90
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- FPMD/CP merging of ions dynamics
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2008-08-03 19:04:09 +00:00 |
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init_run.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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inner_loop_cold.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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input.f90
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variables nelec, nelup and neldw removed from input
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2009-09-18 13:30:27 +00:00 |
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ions_positions.f90
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- FPMD/CP merging of ions dynamics
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2008-08-03 19:04:09 +00:00 |
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ksstates.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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main.f90
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- obsolete FPMD feature removed
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2009-09-08 14:12:45 +00:00 |
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main_loops.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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mainvar.f90
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- cleanup of stdout
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2009-09-06 17:22:31 +00:00 |
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make.depend
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- obsolete subroutine removed
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2009-09-12 09:13:40 +00:00 |
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metaxc.f90
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elimination from CPV/metaxc.f90 of code non-specific parts that have been
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2007-02-14 08:51:32 +00:00 |
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modules.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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move_electrons.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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nl_base.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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nlcc.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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ortho.f90
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- bug fix, wrong dimension for lsd simulations
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2009-08-04 13:30:56 +00:00 |
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ortho_base.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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path_routines.f90
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Yesterday's commit had a bug that affected NEB. Some cleanup.
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2009-09-27 04:12:20 +00:00 |
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phasefactor.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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polarization.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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potentials.f90
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- some verbosity issues fixed
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2009-08-30 09:33:57 +00:00 |
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pres_ai_mod.f90
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Variables read in module pres_ai_mod have been added to input_parameters:
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2006-12-12 15:35:11 +00:00 |
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print_out.f90
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- New verbosity rules:
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2008-10-28 17:38:01 +00:00 |
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problem_size.f90
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Removal of a few occurrences of static dimensioning to "ndmx"
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2007-10-17 07:47:49 +00:00 |
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pseudo_base.f90
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- obsolete subroutines removed
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2009-09-08 15:58:48 +00:00 |
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pseudopot.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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pseudopot_sub.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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qmatrixd.f90
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- Explicit MPI_XXXX calls substituted by calls to "mp" wrappers.
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2009-01-12 17:25:16 +00:00 |
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qqberry.f90
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- pseudo_type/grid nullification still was giving problem (gfortran).
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2008-04-27 08:58:55 +00:00 |
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read_pseudo.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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restart.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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restart_sub.f90
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- cleanup of stdout
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2009-09-06 17:22:31 +00:00 |
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runcp.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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spline.f90
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More patches from Axel:
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2006-12-14 08:53:47 +00:00 |
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stop_run.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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stress.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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vanderwaals.f90
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- forgotten commit, mostly clean-ups
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2008-07-26 08:20:13 +00:00 |
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vol_clu.f90
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- fix of a wrong recent clenup
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2009-08-04 14:43:16 +00:00 |
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wannier.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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wannier_base.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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wave.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
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wave_types.f90
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Cleanup of fixed parameters - only a few remains in parameters.f90.
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2009-02-19 09:49:49 +00:00 |
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waveinit.f90
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- more CP/FPMD merging
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2005-09-15 16:51:35 +00:00 |
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wf.f90
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Removal of f_efs.h, explicit typing of CMPLX, lowercase blas/lapack
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2009-08-03 07:29:20 +00:00 |
26ec9c411b