mirror of https://gitlab.com/QEF/q-e.git
Misc minor fixes: obsolete reference to libsolvent removed; module
"solvent" removed from dependencies; make.depend updated; cleanup git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@8925 c92efa57-630b-4861-b058-cf58834340f0
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@ -107,10 +107,6 @@ PROGRAM neb
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!
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endif
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!
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! mpi for engine
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! call path_to_engine_mp()
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!
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!
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call set_input_unit()
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!
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open(unit=stdinpath,file="neb.dat",status="old")
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@ -139,19 +135,12 @@ PROGRAM neb
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CALL allocate_path_input_ions(input_images)
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CALL engine_to_path_pos(1)
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CALL engine_to_path_fix_atom_pos()
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do i=2,input_images
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CALL set_engine_input_defaults()
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CALL clean_pw(.true.)
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! if(i>=1.and.i<10) then
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! write(a_tmp,'(i1)') i
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! elseif(i>10.and.i<100) then
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! write(a_tmp,'(i2)') i
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! elseif(i>100.and.i<1000) then
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! write(a_tmp,'(i3)')
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! endif
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a_tmp=trim(int_to_char(i))
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OPEN(unit_tmp,file=trim(engine_prefix)//trim(a_tmp)//".in")
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CALL test_input_xml(unit_tmp,lxml)
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CLOSE(unit_tmp)
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@ -170,17 +159,14 @@ PROGRAM neb
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CALL engine_to_path_pos(i)
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enddo
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!
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!
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CALL path_to_engine_fix_atom_pos()
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!
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CALL ioneb()
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!
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!
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CALL set_engine_io_units()
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!
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! END INPUT RELATED
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!
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!
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CALL check_stop_init()
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!
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CALL io_image_start()
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@ -227,7 +227,7 @@ wannier_enrg.o \
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QEMODS=../../Modules/libqemod.a
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TLDEPS=bindir mods libs liblapack libblas libsolvent
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TLDEPS=bindir mods libs liblapack libblas libenviron
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LIBOBJS = ../../flib/ptools.a ../../flib/flib.a ../../clib/clib.a ../../iotk/src/libiotk.a
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@ -290,21 +290,3 @@ stop_lr.o : ../../Modules/kind.o
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stop_lr.o : ../../Modules/mp.o
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stop_lr.o : ../../Modules/parallel_include.o
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stop_lr.o : lr_variables.o
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bcast_lr_input.o : ../../include/f_defs.h
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lr_alloc_init.o : ../../include/f_defs.h
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lr_apply_liouvillian.o : ../../include/f_defs.h
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lr_calc_dens.o : ../../include/f_defs.h
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lr_dealloc.o : ../../include/f_defs.h
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lr_diagonalise.o : ../../include/f_defs.h
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lr_dot.o : ../../include/f_defs.h
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lr_init_nfo.o : ../../include/f_defs.h
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lr_main.o : ../../include/f_defs.h
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lr_normalise.o : ../../include/f_defs.h
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lr_ortho.o : ../../include/f_defs.h
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lr_read_d0psi.o : ../../include/f_defs.h
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lr_read_wf.o : ../../include/f_defs.h
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lr_restart.o : ../../include/f_defs.h
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lr_set_boxes_density.o : ../../include/f_defs.h
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lr_solve_e.o : ../../include/f_defs.h
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lr_write_restart.o : ../../include/f_defs.h
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sd0psi.o : ../../include/f_defs.h
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@ -90,6 +90,8 @@ for dir in $dirs; do
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then
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mv make.depend make.depend.tmp
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sed '/@environ_base@/d' make.depend.tmp > make.depend
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sed '/@solvent@/d' make.depend > make.depend.tmp
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mv make.depend.tmp make.depend
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fi
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rm -f make.depend.tmp
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