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Makefile
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1023 lines (882 loc) · 40.4 KB
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# 07062013: using acml library for blas/lapack
# linking with openmp acml for h2eb.f90 (dsyevx lapack routine)
# todo:(May/2013)
# ~~~~~~~~~~~
# -- use only one parameter.2e.inc file throughout the package
# allow bspci2e.f90 to write bspci2e.inc where the values of nl,np,...
# are declared depending on the problem
# -- incorporate the hartree-fock in *f90 package
# -- consider bspci1e calculations as special case of bspc2e.pl script
# -- remove np,kx from bs_parameter.f90 in favor to no,kb in bspci2e.inp
# -- remove all unused variables
# -- declare all functions with explicit interface
# -- transform v2eb.f to v2eb.f90
# -- when using loops check for right_to_left execution of loops
# -- rewrite n2e.f in fortran90
# compilers:
# ~~~~~~~~~~~
# - implement two modes (debugging,optimization)
# - test code with: gfortran, intel, open64
# parallelism:
# ~~~~~~~~~~~
# -- explore openmp parallelization in loops (v2eb.f90)
# physics:
# ^^^^^^^^
# -- incorporate quantum dot potentials
# -- reconsider n2e.f90 normalization code
# -- include other model potentials as well
# Todo
# -- incorporating the 3e code in the Makefile?
# 20102008/ transform of d2e.f (cpc/bspci2e v1 code) to h2eb.f90 (fortran 90)
# Makefile bspci2e
# local dirs
CMP=gnu # Change to intel for intel compiler
DIR = ${shell pwd}
SRC = ${DIR}/src
LIB = ${DIR}/lib
MOD = ${SRC}
BIN = ${DIR}/bin
TOP = basis
LIBNAME = lib${TOP}.a
LINK_LIB = ${LIB}/${LIBNAME}
# mpi
MPI = mpif77
MPI_FC = mpif77
MPI_LINK = mpif77
ifeq ($(CMP),intel)
include ./compilers/intel.cfg
else
include ./compilers/gnu.cfg
endif
##########################################################################################
MOBJECTS = #${MOD}/mod_pad_utils.o
MSOURCES = #${MOBJECTS:.o=.f90}
MPRODUCT = #mod
##########################################################################################
LOBJECTS = mod_precision.o mod_units.o mod_io.o mod_netCDF.o \
bs_fr_1e_ang.o anglib.o mod_spherical_harmonics.o \
modules_tdse.o mod_field.o \
spack.o bsplines.o soleig-fxd.o ang.o \
grid.o rinfxd.o rinfree.o cxfin1.o subio.o \
ykfct.o sub_hf.o mod_netCDF_new.o
# sub_hf.o ykfct.o #used when the hf will be implemented
LSOURCES = ${LOBJECTS:.o=.f}
LOBJECTS := $(patsubst %, $(SRC)/%, $(LOBJECTS))
LSOURCES := $(patsubst %, $(SRC)/%, $(LSOURCES))
LPRODUCT = lib
##########################################################################################
POBJECTS1 = bs1e_parameter.o mod_kracken.o bspci2e.o
OBJECTS1 = $(patsubst %, $(SRC)/%, ${POBJECTS1})
SOURCES1 = ${OBJECTS1:.o=.f90}
LIBS1 =
PRODUCT1 = Rbspci2e
##########################################################################################
# h1e
##########################################################################################
POBJECTS2 = bs1e_parameter.o mod_utils-v1.o bs1e_modules.o mod_data.o \
mod_types.o mod_h1e.o sub_hf.o h1e.o
OBJECTS2 = $(patsubst %, $(SRC)/%, ${POBJECTS2})
SOURCES2 = ${OBJECTS2:.o=.f90}
LIBS2 = ${LINK_LIB} ${LINK_LAPACK} ${LINK_NAG17} ${LINK_SLATEC}
PRODUCT2 = Rh1e
##########################################################################################
POBJECTS2b = bsh2p_parameter.o mod_utils-v1.o mod_qutils.o bs1e_modules.o \
mod_data.o h2p.o
OBJECTS2b = $(patsubst %, $(SRC)/%, ${POBJECTS2b})
SOURCES2b = ${OBJECTS2b:.o=.f90}
LIBS2b = ${LINK_LIB} ${LINK_LAPACK} ${LINK_NAG17} ${LINK_SLATEC}
PRODUCT2b = Rh2p
##########################################################################################
POBJECTS3 = bs1e_parameter.o mod_utils-v1.o bs1e_modules.o mod_data.o \
mod_types.o mod_w1e.o w1e.o
OBJECTS3 = $(patsubst %, $(SRC)/%, ${POBJECTS3})
SOURCES3 = ${OBJECTS3:.o=.f90}
LIBS3 = ${LINK_LIB} ${LINK_LAPACK} ${LINK_NAG17} ${LINK_SLATEC}
PRODUCT3 = Rw1e
##########################################################################################
POBJECTS3a = bs1e_parameter.o mod_utils-v1.o bs1e_modules.o mod_data.o \
mod_types.o mod_w1e_adam.o w1e_adam.o
OBJECTS3a = $(patsubst %, $(SRC)/%, ${POBJECTS3a})
SOURCES3a = ${OBJECTS3a:.o=.f90}
LIBS3a = ${LINK_LIB} ${LINK_LAPACK} ${LINK_NAG17} ${LINK_SLATEC}
PRODUCT3a = Rw1e_adam
# slatec here is only needed because dbvalu is used in h1e. (Move dbvalue into
# anotherother module than bs1e_modules.f90
##########################################################################################
# h2e fixed (fxd) boundary conditions
##########################################################################################
POBJECTS4 = v2eb.o subiob.o rinfxdb.o ykfctb.o angb.o subv2eb.o
OBJECTS4 = $(patsubst %, $(SRC)/%, ${POBJECTS4})
SOURCES4 = ${OBJECTS4:.o=.f}
LIBS4 = ${LINK_LIB}
PRODUCT4 = Rv2eb
##########################################################################################
POBJECTS4b = v12.o subiov12.o rinfxdb.o ykfctb.o angb.o subv12.o
OBJECTS4b = $(patsubst %, $(SRC)/%, ${POBJECTS4b})
SOURCES4b = ${OBJECTS4b:.o=.f}
LIBS4b = ${LINK_LIB}
PRODUCT4b = Rv12
##########################################################################################
# 23.10.2008: trying to convert to f90 (not completed)
POBJECTS4a = mod_w2e_r12.o modio.o mod_bs_frb_2e.o r12.o
OBJECTS4a = $(patsubst %, $(SRC)/%, ${POBJECTS4a})
SOURCES4a = ${OBJECTS4a:.o=.f90}
LIBS4a = ${LINK_LIB}
PRODUCT4a = Rr12b
##########################################################################################
# 20.10.2008: transform old d2e.f (bspci2e/cpc/h2eb.f) from f77 to fortran 90.
POBJECTS5 = mod_w2e.o h2eb.o #h2eb_old.o #subio.o
OBJECTS5 = $(patsubst %, $(SRC)/%, ${POBJECTS5})
SOURCES5 = ${OBJECTS5:.o=.f90}
LIBS5 = ${LINK_LIB} ${LINK_LAPACK} #${LINK_ACML_MP}
PRODUCT5 = Rh2eb
##########################################################################################
#QUB25102008LAAN: transform of old (bspci2e/cpc/wf2e.f) from f77 to fortran 90
POBJECTS6 = w2eb.o #subio.o
OBJECTS6 = $(patsubst %, $(SRC)/%, ${POBJECTS6})
SOURCES6 = ${OBJECTS6:.o=.f90}
LIBS6 = ${LINK_LIB}
PRODUCT6 = Rw2eb
##########################################################################################
POBJECTS7 = d2eb.o subd2eb.o #subio.o
OBJECTS7 = $(patsubst %, $(SRC)/%, ${POBJECTS7})
SOURCES7 = ${OBJECTS7:.o=.f}
LIBS7 = ${LINK_LIB} ${LINK_LAPACK} ${LINK_BLAS}
PRODUCT7 = Rd2eb
##########################################################################################
POBJECTS8 = mod_hnorm_io.o mod_hnorm_wf1e.o mod_hnorm_param.o hnorm.o
OBJECTS8 = $(patsubst %, $(SRC)/%, ${POBJECTS8})
SOURCES8 = ${OBJECTS8:.o=.f90}
LIBS8 = ${LINK_LIB}
PRODUCT8 = Rhnorm
##########################################################################################
#23.10.2008: included in the package
# old names: norm2e.f subnorm2e.
# grid.f (needed by norm2e.f)
POBJECTS9 = subio.o rinfxdb.o subn2eb.o n2eb.o #subio.o rinfxdb.o ykfctb.o angb.o subv2eb.o
OBJECTS9 = $(patsubst %, $(SRC)/%, ${POBJECTS9})
SOURCES9 = ${OBJECTS9:.o=.f}
LIBS9 = #${LINK_LIB}
PRODUCT9 = Rn2eb
##########################################################################################
POBJECTS10 = ncf.o #mod_netCDF.o #subio.o mod_netCDF.o
OBJECTS10 = $(patsubst %, $(SRC)/%, ${POBJECTS10})
SOURCES10 = ${OBJECTS10:.o=.f90}
LIBS10 = ${LINK_LIB} ${LINK_NETCDF_F}
PRODUCT10 = Rncf
##########################################################################################
# test new mod_netCDF file
POBJECTS10a = ncf_new.o #mod_netCDF_new.o #subio.o mod_netCDF.o
OBJECTS10a = $(patsubst %, $(SRC)/%, ${POBJECTS10a})
SOURCES10a = ${OBJECTS10a:.o=.f90}
LIBS10a = ${LINK_LIB} ${LINK_NETCDF_F}
PRODUCT10a = Rncf_new
##########################################################################################
##########################################################################################
# h2e free-boundary conditions
##########################################################################################
POBJECTS14 = v2e.o subv2e.o v2e_ykfct.o
OBJECTS14 = $(patsubst %, $(SRC)/%, ${POBJECTS14})
SOURCES14 = ${OBJECTS14:.o=.f}
LIBS14 = ${LINK_LIB}
PRODUCT14 = Rv2ef
##########################################################################################
POBJECTS15 = mod_utils.o modio.o mod_bs_frb_2e.o mod_h2e.o h2e.o
OBJECTS15 = $(patsubst %, $(SRC)/%, ${POBJECTS15})
SOURCES15 = ${OBJECTS15:.o=.f90}
LIBS15 = ${LINK_LIB} ${LINK_LAPACK} ${LINK_BLAS}
PRODUCT15 = Rh2ef
##########################################################################################
POBJECTS16 = mod_utils.o modules_tise.o modio.o mod_bs_frb_2e.o mod_k2e.o k2e.o
OBJECTS16 = $(patsubst %, $(SRC)/%, ${POBJECTS16})
SOURCES16 = ${OBJECTS16:.o=.f90}
LIBS16 = ${LINK_LIB} ${LINK_LAPACK} ${LINK_BLAS}
PRODUCT16 = Rk2ef
##########################################################################################
POBJECTS17b = modio.o mod_utils.o mod_d2ebf.o subhdmx2e.o d2ebf.o
OBJECTS17b = $(patsubst %, $(SRC)/%, ${POBJECTS17b})
SOURCES17b = ${OBJECTS17b:.o=.f90}
LIBS17b = ${LINK_LIB} ${LINK_BLAS}
PRODUCT17b = Rd2ebf
##########################################################################################
POBJECTS17 = modio.o mod_utils.o mod_dmx2ebf.o subhdmx2e.o dmx2ebf.o
OBJECTS17 = $(patsubst %, $(SRC)/%, ${POBJECTS17})
SOURCES17 = ${OBJECTS17:.o=.f90}
LIBS17 = ${LINK_LIB} ${LINK_BLAS}
PRODUCT17 = Rdmx2ebf
##########################################################################################
POBJECTS18 = modio.o mod_dmx2eff.o subhdmx2e.o dmx2eff.o
OBJECTS18 = $(patsubst %, $(SRC)/%, ${POBJECTS18})
SOURCES18 = ${OBJECTS18:.o=.f90}
LIBS18 = ${LINK_LIB} ${LINK_BLAS}
PRODUCT18 = Rd2eff
##########################################################################################
POBJECTS19 = modio.o ndmx2ebf.o
OBJECTS19 = $(patsubst %, $(SRC)/%, ${POBJECTS19})
SOURCES19 = ${OBJECTS19:.o=.f90}
LIBS19 = ${LINK_LIB} ${LINK_LAPACK} ${LINK_BLAS}
PRODUCT19 = Rn2ebf
##########################################################################################
POBJECTS20 = modio.o ndmx2eff.o
OBJECTS20 = $(patsubst %, $(SRC)/%, ${POBJECTS20})
SOURCES20 = ${OBJECTS20:.o=.f90}
LIBS20 = ${LINK_LIB} ${LINK_LAPACK} ${LINK_BLAS}
PRODUCT20 = Rn2eff
##########################################################################################
##########################################################################################
# LOPT
##########################################################################################
##########################################################################################
# single photon cross section (multichannel code)
##########################################################################################
POBJECTS21 = modio.o cs1ph.o
OBJECTS21 = $(patsubst %, $(SRC)/%, ${POBJECTS21})
SOURCES21 = ${OBJECTS21:.o=.f90}
LIBS21 = ${LINK_LIB}
PRODUCT21 = Rc2e1
##########################################################################################
# 2-photo cross sections (multichannel code)
##########################################################################################
POBJECTS22 = modio.o cs2ph.o
OBJECTS22 = $(patsubst %, $(SRC)/%, ${POBJECTS22})
SOURCES22 = ${OBJECTS22:.o=.f90}
LIBS22 = ${LINK_LIB} ${LINK_LAPACK} ${LINK_BLAS}
PRODUCT22 = Rc2e2
##########################################################################################
# single photon cross section (fxd code)
##########################################################################################
POBJECTS23 = modio.o cs2e1ph_b.o
OBJECTS23 = $(patsubst %, $(SRC)/%, ${POBJECTS23})
SOURCES23 = ${OBJECTS23:.o=.f}
LIBS23 = ${LINK_LIB}
PRODUCT23 = Rcs2e1ph_b
###########################################################################################
# 2-photo cross sections (fxd code)
##########################################################################################
POBJECTS24 = modio.o cs2e2ph_b.o
OBJECTS24 = $(patsubst %, $(SRC)/%, ${POBJECTS24})
SOURCES24 = ${OBJECTS24:.o=.f}
LIBS24 = ${LINK_LIB}
PRODUCT24 = Rcs2e2ph_b
##########################################################################################
# crmr
##########################################################################################
SOURCES25 = icsNph.f #subio_lopt.f
OBJECTS25 = $(patsubst %, $(SRC)/%, ${SOURCES25:.f=.o})
PRODUCT25 = RcsNph_i
LIBS25 = ${LINK_LIB}
##########################################################################################
SOURCES26 = csNph.f subcsNph.f
OBJECTS26 = $(patsubst %, $(SRC)/%, ${SOURCES26:.f=.o})
PRODUCT26 = RcsNph_l
LIBS26 = ${LINK_BLAS}
##########################################################################################
SOURCES27 = csNph_merge_r.f90
OBJECTS27 = $(patsubst %, $(SRC)/%, ${SOURCES27:.f90=.o})
PRODUCT27 = RcsNph_merge_r
LIBS27 = ${LINK_SLATEC}
##########################################################################################
SOURCES28 = mod_precision.f90 mod_units.f90 mod_ang_lopt.f90 mod_utils_lopt.f90 csNph_total.f90
OBJECTS28 = $(patsubst %, $(SRC)/%, ${SOURCES28:.f90=.o})
PRODUCT28 = RcsNph_t
LIBS28 =
##########################################################################################
SOURCES29a = stark.f
OBJECTS29a = $(patsubst %, $(SRC)/%, ${SOURCES29a:.f=.o})
PRODUCT29a = Rstark
LIBS29a =
##########################################################################################
SOURCES29b = shift.f
OBJECTS29b = $(patsubst %, $(SRC)/%, ${SOURCES29b:.f=.o})
PRODUCT29b = Rshift
LIBS29b =
##########################################################################################
##########################################################################################
# tdse-2e
##########################################################################################
POBJECTS30 = mod_dynamic_array.o mod_field.o mod_utils.o \
mod_tdse_bs.o subtdse_bs.o tdse_bs_temp.o
OBJECTS30 = $(patsubst %, $(SRC)/%, ${POBJECTS30})
SOURCES30 = ${OBJECTS30:.o=.f90}
LIBS30 = ${LINK_LAPACK} ${LINK_BLAS} ${LINK_NAG17} ${LINK_LIB} ${LINK_NETCDF_F}
PROFFLAG30 = -Wmaybe-uninitialized
#${LINK_ODE}
PRODUCT30 = Rtdse_bs
##########################################################################################
POBJECTS30a = mod_tdse_bs.o tdse_bs_pes.o
OBJECTS30a = $(patsubst %, $(SRC)/%, ${POBJECTS30a})
SOURCES30a = ${OBJECTS30a:.o=.f90}
LIBS30a = ${LINK_LIB} ${LINK_NETCDF_F}
PRODUCT30a = Rtdse_bs_pes
##########################################################################################
POBJECTS30b = mod_tdse_bs.o tdse_bs_pes.o #tdse_bs_hhg.o (change to hhg file when you find this file)
OBJECTS30b = $(patsubst %, $(SRC)/%, ${POBJECTS30b})
SOURCES30b = ${OBJECTS30b:.o=.f90}
LIBS30b = ${LINK_LIB} ${LINK_NAG17} ${LINK_NETCDF_F}
PRODUCT30b = Rtdse_hhg
##########################################################################################
POBJECTS30c = modio.o\
bs1e_parameter.o mod_utils-v1.o mod_bs_frb_2e.o \
mod_tdse_bs.o mod_tdse_bs_pop2.o tdse_bs_pop_timetrace.o
OBJECTS30c = $(patsubst %, $(SRC)/%, ${POBJECTS30c})
SOURCES30c = ${OBJECTS30c:.o=.f90}
LIBS30c = ${LINK_LIB} ${LINK_NAG17} ${LINK_NETCDF_F}
PRODUCT30c = Rtdse_bs_pop_timetrace
##########################################################################################
POBJECTS30d = modio.o\
bs1e_parameter.o mod_utils-v1.o mod_bs_frb_2e.o \
mod_tdse_bs.o tdse_bs_pop_v0.o
OBJECTS30d = $(patsubst %, $(SRC)/%, ${POBJECTS30d})
SOURCES30d = ${OBJECTS30d:.o=.f90}
LIBS30d = ${LINK_LIB} ${LINK_NAG17} ${LINK_NETCDF_F}
PRODUCT30d = Rtdse_bs_pop_v0
##########################################################################################
POBJECTS31 = subtdse_bs_frb_2e_cos_s.o tdse_bs_frb_2e_cos_s.o
OBJECTS31 = $(patsubst %, $(SRC)/%, ${POBJECTS31})
SOURCES31 = ${OBJECTS31:.o=.f90}
LIBS31 = ${LINK_LIB} ${LINK_LAPACK} ${LINK_BLAS} ${LINK_NAG17}
PRODUCT31 = Rtdse_bs_frb_2e_cos_s
# (double-cos)
##########################################################################################
POBJECTS32 = subtdse_bs_frb_2e.o tdse_bs_frb_2e.o
OBJECTS32 = $(patsubst %, $(SRC)/%, ${POBJECTS32})
SOURCES32 = ${OBJECTS32:.o=.f90}
LIBS32 = ${LINK_LIB} ${LINK_LAPACK} ${LINK_BLAS} ${LINK_NAG17}
PRODUCT32 = Rtdse_bs_frb_2e #Rtdse_bs_frb_2e
##########################################################################################
POBJECTS32a = subtdse_bs_frb_2e_ramp_d.o tdse_bs_frb_2e_ramp_d.o
OBJECTS32a = $(patsubst %, $(SRC)/%, ${POBJECTS32a})
SOURCES32a = ${OBJECTS32a:.o=.f90}
LIBS32a = ${LINK_LIB} ${LINK_LAPACK} ${LINK_BLAS} ${LINK_NAG17}
PRODUCT32a = Rtdse_bs_frb_ramp_d
##########################################################################################
POBJECTS33 = subtdse_bs_frb_2e_pad.o tdse_bs_frb_2e_pad.o
OBJECTS33 = $(patsubst %, $(SRC)/%, ${POBJECTS33})
SOURCES33 = ${OBJECTS33:.o=.f90}
LIBS33 = ${LINK_LIB}
PRODUCT33 = Rpad
##########################################################################################
POBJECTS34 = tdse_bs_frb_2e_read_dmx.o
OBJECTS34 = $(patsubst %, $(SRC)/%, ${POBJECTS34})
SOURCES34 = ${OBJECTS34:.o=.f90}
LIBS34 = ${LINK_LIB}
PRODUCT34 = Rtdse_bs_frb_2e_read_dmx
##########################################################################################
POBJECTS35 = tdse_bs_fxd_2e_read_coe.o #tdse_bs_frb_2e_read_coe.o
OBJECTS35 = $(patsubst %, $(SRC)/%, ${POBJECTS35})
SOURCES35 = ${OBJECTS35:.o=.f90}
LIBS35 = ${LINK_LIB}
PRODUCT35 = Rtdse_bs_fxd_read_coe
##########################################################################################
POBJECTS36 = pcolor.o
OBJECTS36 = $(patsubst %, $(SRC)/%, ${POBJECTS36})
SOURCES36 = ${OBJECTS36:.o=.f90}
LIBS36 = ${LINK_LIB}
PRODUCT36 = Rpcolor
##########################################################################################
POBJECTS37 = mod_precision.o bs1e_parameter.o mod_utils-v1.o mod_bs_frb_2e.o\
mod_tdse_bs.o mod_tdse_bs_pop2.o rd2e_double_ionisation_total.o
OBJECTS37 = $(patsubst %, $(SRC)/%, ${POBJECTS37})
SOURCES37 = ${OBJECTS37:.o=.f90}
LIBS37 = ${LINK_LIB} ${LINK_LAPACK} ${LINK_NAG17} ${LINK_SLATEC} ${LINK_NETCDF_F} -fopenmp
PRODUCT37 = rd2e_double_ionisation_total
# (parallel) (spse)
##########################################################################################
POBJECTS37a = mod_precision.o bs1e_parameter.o mod_utils-v1.o mod_bs_frb_2e.o \
mod_tdse_bs.o mod_tdse_bs_pop2.o mod_field.o rd2e_partial_wave_double_ionisation.o
OBJECTS37a = $(patsubst %, $(SRC)/%, ${POBJECTS37a})
SOURCES37a = ${OBJECTS37a:.o=.f90}
LIBS37a = ${LINK_LIB} ${LINK_LAPACK} ${LINK_NAG17} ${LINK_SLATEC} ${LINK_NETCDF_F} -fopenmp
PRODUCT37a = rd2e_partial_wave_double_ionisation_t
##########################################################################################
POBJECTS37b = mod_precision.o bs1e_parameter.o mod_spherical_harmonics.o anglib.o mod_utils-v1.o mod_bs_frb_2e.o \
mod_tdse_bs.o mod_tdse_bs_pop2.o mod_core_phase_shift.o subtdse_bs_frb_2e_pad.o pad2e.o
OBJECTS37b = $(patsubst %, $(SRC)/%, ${POBJECTS37b})
SOURCES37b = ${OBJECTS37b:.o=.f90}
LIBS37b = ${LINK_LIB} ${LINK_LAPACK} ${LINK_NAG17} ${LINK_SLATEC} ${LINK_NETCDF_F} -fopenmp
PRODUCT37b = pad2e
##########################################################################################
POBJECTS37c = mod_w2e.o mod_precision.o bs1e_parameter.o mod_utils-v1.o mod_bs_frb_2e.o \
mod_tdse_bs.o mod_tdse_bs_pop2.o v12t.o
OBJECTS37c = $(patsubst %, $(SRC)/%, ${POBJECTS37c})
SOURCES37c = ${OBJECTS37c:.o=.f90}
LIBS37c = ${LINK_LIB} ${LINK_LAPACK} ${LINK_NAG17} ${LINK_SLATEC} ${LINK_NETCDF_F} -fopenmp
PRODUCT37c = Rv12t
##########################################################################################
POBJECTS37d = mod_w2e.o mod_precision.o bs1e_parameter.o mod_utils-v1.o mod_bs_frb_2e.o \
mod_tdse_bs.o mod_tdse_bs_pop2.o enlnl.o
OBJECTS37d = $(patsubst %, $(SRC)/%, ${POBJECTS37d})
SOURCES37d = ${OBJECTS37d:.o=.f90}
LIBS37d = ${LINK_LIB} ${LINK_LAPACK} ${LINK_NAG17} ${LINK_SLATEC} ${LINK_NETCDF_F} -fopenmp
PRODUCT37d = Renlnl
##########################################################################################
# write a test bessel function to a file
##########################################################################################
POBJECTS38 = mod_precision.o bs1e_parameter.o mod_spherical_harmonics.o anglib.o mod_utils-v1.o mod_bs_frb_2e.o \
mod_tdse_bs.o mod_tdse_bs_pop.o bessel_print.o
OBJECTS38 = $(patsubst %, $(SRC)/%, ${POBJECTS38})
SOURCES38 = ${OBJECTS38:.o=.f90}
LIBS38 = ${LINK_LIB} ${LINK_LAPACK} ${LINK_NAG17} ${LINK_SLATEC} ${LINK_NETCDF_F} -fopenmp
PRODUCT38 = bessel_print
##########################################################################################
# Seperate radial wf file for given l into individual files
##########################################################################################
POBJECTS38a = mod_precision.o bs1e_parameter.o mod_spherical_harmonics.o anglib.o mod_utils-v1.o mod_bs_frb_2e.o \
mod_tdse_bs.o mod_tdse_bs_pop.o radial_function_separator.o
OBJECTS38a = $(patsubst %, $(SRC)/%, ${POBJECTS38a})
SOURCES38a = ${OBJECTS38a:.o=.f90}
LIBS38a = ${LINK_LIB} ${LINK_LAPACK} ${LINK_NAG17} ${LINK_SLATEC} ${LINK_NETCDF_F} -fopenmp
PRODUCT38a = radial_separator
##########################################################################################
POBJECTS37e = mod_w2e.o mod_precision.o bs1e_parameter.o mod_utils-v1.o mod_bs_frb_2e.o \
mod_tdse_bs.o mod_tdse_bs_pop2.o v12t_method9HT.o
OBJECTS37e = $(patsubst %, $(SRC)/%, ${POBJECTS37e})
SOURCES37e = ${OBJECTS37e:.o=.f90}
LIBS37e = ${LINK_LIB} ${LINK_LAPACK} ${LINK_NAG17} ${LINK_SLATEC} ${LINK_NETCDF_F} -fopenmp
PRODUCT37e = v12t_method9HT
##########################################################################################
##########################################################################################
# Define batches of executables that are created via make commands, e.g make fxd_exe
# will compile all the executables in the fxd_exe batch for fixed boundary conditions
##########################################################################################
PROD = 1 2 3 4 5 \
6 7 8 9 10 10a \
14 15 16 17 17b \
18 19 20 21 22 \
23 24 25 26 27 \
28 29a 29b 30 30a \
31 32 32a 33 33a \
34 35 36
PRODUCT = ${PRODUCT1} ${PRODUCT2} ${PRODUCT3} ${PRODUCT4} ${PRODUCT4a} \
${PRODUCT5} ${PRODUCT6} ${PRODUCT7} ${PRODUCT8} ${PRODUCT9} \
${PRODUCT10} ${PRODUCT10a} ${PRODUCT14} ${PRODUCT15} ${PRODUCT16} \
${PRODUCT17} ${PRODUCT17b} ${PRODUCT18} ${PRODUCT19} ${PRODUCT20} \
${PRODUCT21} ${PRODUCT22} ${PRODUCT23} ${PRODUCT24} ${PRODUCT25} \
${PRODUCT26} ${PRODUCT27} ${PRODUCT28} ${PRODUCT29a} ${PRODUCT29b}
# change from 3a back to 3 at some point (EDITED BY ADAM TO INCLUDE WRITING OF ALL 1e WAVFUNCTIONS ON 24/01/19)
FXD_EXE = ${PRODUCT1} ${PRODUCT2} ${PRODUCT3a} ${PRODUCT4} ${PRODUCT4b} \
${PRODUCT5} ${PRODUCT6} ${PRODUCT7} ${PRODUCT8} ${PRODUCT9} \
${PRODUCT10} ${PRODUCT10a}
FREE_EXE = ${PRODUCT14} ${PRODUCT15} ${PRODUCT16} ${PRODUCT17} ${PRODUCT17b} \
${PRODUCT18} ${PRODUCT19} ${PRODUCT20}
LOPT_EXE = ${PRODUCT21} ${PRODUCT22} ${PRODUCT23} ${PRODUCT24} ${PRODUCT25} \
${PRODUCT26} ${PRODUCT27} ${PRODUCT28} ${PRODUCT29} ${PRODUCT29a} \
${PRODUCT29b}
TDSE_EXE = ${PRODUCT30} ${PRODUCT30a} ${PRODUCT30b} ${PRODUCT30c} ${PRODUCT30d} \
${PRODUCT31} ${PRODUCT32} ${PRODUCT32a} ${PRODUCT33} ${PRODUCT34} \
${PRODUCT35} ${PRODUCT36}
free_exe: ${FREE_EXE}
fxd_exe: ${FXD_EXE}
lopt_exe: ${LOPT_EXE}
tdse_exe: ${TDSE_EXE}
all: ${LPRODUCT} ${PRODUCT}
${MPRODUCT}: ${MOBJECTS}
cd ${MOD}
$(F90) $(F90FLAGS) $(MOBJECTS)
# ar -cru ${LIBNAME} ${MOBJECTS}
# mkdir -p ${LIB}
# cp ${LIBNAME} ${LIB}
# mv ${LIBNAME} ${AMO_LIB}
${LPRODUCT}: ${LOBJECTS}
ar -cru ${LIBNAME} ${LOBJECTS}
mkdir -p ${LIB}
mv ${LIBNAME} ${LIB}
# mv ${LIBNAME} ${AMO_LIB}
#${PRODUCT0}: $(OBJECTS0)
# $(CXX) $(PROFFLAG) $(CXXFLAGS) -o $(PRODUCT0) $(OBJECTS0) $(LIBS0)
# cp ${PRODUCT0} ${BIN}
# mv ${PRODUCT0} ${AMO_BIN}
${PRODUCT1}: $(OBJECTS1)
$(F90) $(PROFFLAG1) $(F90FLAGS) -o $(PRODUCT1) $(OBJECTS1) $(LIBS1) ;\
mv ${PRODUCT1} ${BIN}
${PRODUCT2}: $(OBJECTS2)
$(F90) $(PROFFLAG2) $(F90FLAGS) -o $(PRODUCT2) $(OBJECTS2) $(LIBS2)
mv ${PRODUCT2} ${BIN}
# mv ${PRODUCT2} ${AMO_BIN}
${PRODUCT2b}: $(OBJECTS2b)
$(F90) $(PROFFLAG2b) $(F90FLAGS) -o $(PRODUCT2b) $(OBJECTS2b) $(LIBS2b)
mv ${PRODUCT2b} ${BIN}
# mv ${PRODUCT2} ${AMO_BIN}
${PRODUCT3}: $(OBJECTS3)
$(F90) $(PROFFLAG3) $(F90FLAGS) -o $(PRODUCT3) $(OBJECTS3) $(LIBS3)
mv ${PRODUCT3} ${BIN}
# mv ${PRODUCT3} ${AMO_BIN}
${PRODUCT3a}: $(OBJECTS3a)
$(F90) $(PROFFLAG3a) $(F90FLAGS) -o $(PRODUCT3a) $(OBJECTS3a) $(LIBS3a)
mv ${PRODUCT3a} ${BIN}
# mv ${PRODUCT3a} ${AMO_BIN}
${PRODUCT4}: $(OBJECTS4)
$(F90) $(PROFFLAG4) $(F90FLAGS) -o $(PRODUCT4) $(OBJECTS4) $(LIBS4)
mv ${PRODUCT4} ${BIN}
# mv ${PRODUCT4} ${AMO_BIN}
${PRODUCT4b}: $(OBJECTS4b)
$(F90) $(PROFFLAG4b) $(F90FLAGS) -o $(PRODUCT4b) $(OBJECTS4b) $(LIBS4b)
mv ${PRODUCT4b} ${BIN}
# mv ${PRODUCT4b} ${AMO_BIN}
# f90 version of 4
${PRODUCT4a}: $(OBJECTS4a)
$(F90) $(PROFFLAG4a) $(F90FLAGS) -o $(PRODUCT4a) $(OBJECTS4a) $(LIBS4a)
mv ${PRODUCT4a} ${BIN}
# mv ${PRODUCT4a} ${AMO_BIN}
${PRODUCT5}: $(OBJECTS5)
$(F90) $(PROFFLAG5) $(F90FLAGS) -o $(PRODUCT5) $(OBJECTS5) $(LIBS5)
mv ${PRODUCT5} ${BIN}
# mv ${PRODUCT5} ${AMO_BIN}
${PRODUCT6}: $(OBJECTS6)
$(F90) $(PROFFLAG6) $(F90FLAGS) -o $(PRODUCT6) $(OBJECTS6) $(LIBS6)
mv ${PRODUCT6} ${BIN}
# mv ${PRODUCT6} ${AMO_BIN}
${PRODUCT7}: $(OBJECTS7)
$(F90) $(PROFFLAG7) $(F90FLAGS) -o $(PRODUCT7) $(OBJECTS7) $(LIBS7)
mv ${PRODUCT7} ${BIN}
# mv ${PRODUCT7} ${AMO_BIN}
${PRODUCT8}: $(OBJECTS8)
$(F90) $(PROFFLAG8) $(F90FLAGS) -o $(PRODUCT8) $(OBJECTS8) $(LIBS8)
mv ${PRODUCT8} ${BIN}
# mv ${PRODUCT8} ${AMO_BIN}
${PRODUCT9}: $(OBJECTS9)
$(F90) $(PROFFLAG9) $(F90FLAGS) -o $(PRODUCT9) $(OBJECTS9) $(LIBS9)
mv ${PRODUCT9} ${BIN}
# mv ${PRODUCT9} ${AMO_BIN}
${PRODUCT10}: $(OBJECTS10)
$(F90) $(PROFFLAG10) $(F90FLAGS) -o $(PRODUCT10) $(OBJECTS10) $(LIBS10)
mv ${PRODUCT10} ${BIN}
# mv ${PRODUCT10} ${AMO_BIN}
${PRODUCT10a}: $(OBJECTS10a)
$(F90) $(PROFFLAG10a) $(F90FLAGS) -o $(PRODUCT10a) $(OBJECTS10a) $(LIBS10a)
mv ${PRODUCT10a} ${BIN}
# mv ${PRODUCT10a} ${AMO_BIN}
${PRODUCT14}: $(OBJECTS14)
$(F90) $(PROFFLAG14) $(F90FLAGS) -o $(PRODUCT14) $(OBJECTS14) $(LIBS14)
mv ${PRODUCT14} ${BIN}
# mv ${PRODUCT14} ${AMO_BIN}
${PRODUCT15}: $(OBJECTS15)
$(F90) $(PROFFLAG15) $(F90FLAGS) -o $(PRODUCT15) $(OBJECTS15) $(LIBS15)
mv ${PRODUCT15} ${BIN}
# mv ${PRODUCT15} ${AMO_BIN}
${PRODUCT16}: $(OBJECTS16)
$(F90) $(PROFFLAG16) $(F90FLAGS) -o $(PRODUCT16) $(OBJECTS16) $(LIBS16)
mv ${PRODUCT16} ${BIN}
# mv ${PRODUCT16} ${AMO_BIN}
${PRODUCT17}: $(OBJECTS17)
$(F90) $(PROFFLAG17) $(F90FLAGS) -o $(PRODUCT17) $(OBJECTS17) $(LIBS17)
mv ${PRODUCT17} ${BIN}
# mv ${PRODUCT17} ${AMO_BIN}
${PRODUCT17b}: $(OBJECTS17b)
$(F90) $(PROFFLAG17b) $(F90FLAGS) -o $(PRODUCT17b) $(OBJECTS17b) $(LIBS17b)
mv ${PRODUCT17b} ${BIN}
# mv ${PRODUCT17b} ${AMO_BIN}
${PRODUCT18}: $(OBJECTS18)
$(F90) $(PROFFLAG18) $(F90FLAGS) -o $(PRODUCT18) $(OBJECTS18) $(LIBS18)
mv ${PRODUCT18} ${BIN}
# mv ${PRODUCT18} ${AMO_BIN}
${PRODUCT19}: $(OBJECTS19)
$(F90) $(PROFFLAG19) $(F90FLAGS) -o $(PRODUCT19) $(OBJECTS19) $(LIBS19)
mv ${PRODUCT19} ${BIN}
# mv ${PRODUCT19} ${AMO_BIN}
${PRODUCT20}: $(OBJECTS20)
$(F90) $(PROFFLAG20) $(F90FLAGS) -o $(PRODUCT20) $(OBJECTS20) $(LIBS20)
mv ${PRODUCT20} ${BIN}
# mv ${PRODUCT20} ${AMO_BIN}
##########################################################################################
# LOPT
##########################################################################################
${PRODUCT21}: $(OBJECTS21)
$(F90) $(PROFFLAG21) $(F90FLAGS) -o $(PRODUCT21) $(OBJECTS21) $(LIBS21)
mv ${PRODUCT21} ${BIN}
# mv ${PRODUCT21} ${AMO_BIN}
${PRODUCT22}: $(OBJECTS22)
$(F90) $(PROFFLAG22) $(F90FLAGS) -o $(PRODUCT22) $(OBJECTS22) $(LIBS22)
mv ${PRODUCT22} ${BIN}
# mv ${PRODUCT22} ${AMO_BIN}
${PRODUCT23}: $(OBJECTS23)
$(F90) $(PROFFLAG23) $(F90FLAGS) -o $(PRODUCT23) $(OBJECTS23) $(LIBS23)
mv ${PRODUCT23} ${BIN}
# mv ${PRODUCT23} ${AMO_BIN}
${PRODUCT24}: $(OBJECTS24)
$(F90) $(PROFFLAG24) $(F90FLAGS) -o $(PRODUCT24) $(OBJECTS24) $(LIBS24)
mv ${PRODUCT24} ${BIN}
# mv ${PRODUCT24} ${AMO_BIN}
${PRODUCT25}: $(OBJECTS25)
$(F90) $(PROFFLAG25) $(F90FLAGS) -o $(PRODUCT25) $(OBJECTS25) $(LIBS25)
mv ${PRODUCT25} ${BIN}
# mv ${PRODUCT25} ${AMO_BIN}
${PRODUCT26}: $(OBJECTS26)
$(F90) $(PROFFLAG26) $(F90FLAGS) -o $(PRODUCT26) $(OBJECTS26) $(LIBS26)
mv ${PRODUCT26} ${BIN}
# mv ${PRODUCT26} ${AMO_BIN}
${PRODUCT27}: $(OBJECTS27)
$(F90) $(PROFFLAG27) $(F90FLAGS) -o $(PRODUCT27) $(OBJECTS27) $(LIBS27)
mv ${PRODUCT27} ${BIN}
# mv ${PRODUCT27} ${AMO_BIN}
${PRODUCT28}: $(OBJECTS28)
$(F90) $(PROFFLAG28) $(F90FLAGS) -o $(PRODUCT28) $(OBJECTS28) $(LIBS28)
mv ${PRODUCT28} ${BIN}
# mv ${PRODUCT28} ${AMO_BIN}
${PRODUCT29a}: $(OBJECTS29a)
$(F90) $(PROFFLAG29a) $(F90FLAGS) -o $(PRODUCT29a) $(OBJECTS29a) $(LIBS29a)
mv ${PRODUCT29a} ${BIN}
# mv ${PRODUCT29} ${AMO_BIN}
${PRODUCT29b}: $(OBJECTS29b)
$(F90) $(PROFFLAG29b) $(F90FLAGS) -o $(PRODUCT29b) $(OBJECTS29b) $(LIBS29b)
mv ${PRODUCT29b} ${BIN}
# mv ${PRODUCT29b} ${AMO_BIN}
##########################################################################################
# tdse
##########################################################################################
${PRODUCT30}: $(OBJECTS30)
$(F90) $(PROFFLAG30) $(F90FLAGS) -o $(PRODUCT30) $(OBJECTS30) $(LIBS30)
mv ${PRODUCT30} ${BIN}
# mv ${PRODUCT30} ${AMO_BIN}
# pes
${PRODUCT30a}: $(OBJECTS30a)
$(F90) $(PROFFLAG30a) $(F90FLAGS) -o $(PRODUCT30a) $(OBJECTS30a) $(LIBS30a)
mv ${PRODUCT30a} ${BIN}
# mv ${PRODUCT30a} ${AMO_BIN}
# hhg
${PRODUCT30b}: $(OBJECTS30b)
$(F90) $(PROFFLAG30b) $(F90FLAGS) -o $(PRODUCT30b) $(OBJECTS30b) $(LIBS30b)
mv ${PRODUCT30b} ${BIN}
# mv ${PRODUCT30b} ${AMO_BIN}
${PRODUCT30c}: $(OBJECTS30c)
$(F90) $(PROFFLAG30c) $(F90FLAGS) -o $(PRODUCT30c) $(OBJECTS30c) $(LIBS30c)
mv ${PRODUCT30c} ${BIN}
# mv ${PRODUCT30c} ${AMO_BIN}
${PRODUCT30d}: $(OBJECTS30d)
$(F90) $(PROFFLAG30d) $(F90FLAGS) -o $(PRODUCT30d) $(OBJECTS30d) $(LIBS30d)
mv ${PRODUCT30d} ${BIN}
# mv ${PRODUCT30d} ${AMO_BIN}
${PRODUCT31}: $(OBJECTS31)
$(F90) $(PROFFLAG31) $(F90FLAGS) -o $(PRODUCT31) $(OBJECTS31) $(LIBS31) ;\
mv ${PRODUCT31} ${BIN} ;\
${PRODUCT32}: $(OBJECTS32)
$(F90) $(PROFFLAG32) $(F90FLAGS) -o $(PRODUCT32) $(OBJECTS32) $(LIBS32)
mv ${PRODUCT32} ${BIN}
# mv ${PRODUCT32} ${AMO_BIN}
${PRODUCT32b}: $(OBJECTS32b)
$(F90) $(PROFFLAG32b) $(F90FLAGS) -o $(PRODUCT32b) $(OBJECTS32b) $(LIBS32b)
mv ${PRODUCT32b} ${BIN}
# mv ${PRODUCT2b} ${AMO_BIN}
${PRODUCT32a}: $(OBJECTS32a)
$(F90) $(PROFFLAG32a) $(F90FLAGS) -o $(PRODUCT32a) $(OBJECTS32a) $(LIBS32a)
mv ${PRODUCT32a} ${BIN}
# mv ${PRODUCT32a} ${AMO_BIN}
${PRODUCT33}: $(OBJECTS33)
$(F90) $(PROFFLAG33) $(F90FLAGS) -o $(PRODUCT33) $(OBJECTS33) $(LIBS33)
mv ${PRODUCT33} ${BIN}
# mv ${PRODUCT33} ${AMO_BIN}
${PRODUCT34}: $(OBJECTS34)
$(F90) $(PROFFLAG34) $(F90FLAGS) -o $(PRODUCT34) $(OBJECTS34) $(LIBS34)
mv ${PRODUCT34} ${BIN}
# mv ${PRODUCT34} ${AMO_BIN}
${PRODUCT35}: $(OBJECTS35)
$(F90) $(PROFFLAG35) $(F90FLAGS) -o $(PRODUCT35) $(OBJECTS35) $(LIBS35)
mv ${PRODUCT35} ${BIN}
# mv ${PRODUCT35} ${AMO_BIN}
${PRODUCT36}: $(OBJECTS36)
$(F90) $(PROFFLAG36) $(F90FLAGS) -o $(PRODUCT36) $(OBJECTS36) $(LIBS36)
mv ${PRODUCT36} ${BIN}
# mv ${PRODUCT36} ${AMO_BIN}
${PRODUCT37}: $(OBJECTS37)
$(F90) $(PROFFLAG37) $(F90FLAGS) -o $(PRODUCT37) $(OBJECTS37) $(LIBS37)
mv ${PRODUCT37} ${BIN}
# mv ${PRODUCT37} ${AMO_BIN}
${PRODUCT37a}: $(OBJECTS37a)
$(F90) $(PROFFLAG37a) $(F90FLAGS) -o $(PRODUCT37a) $(OBJECTS37a) $(LIBS37a)
mv ${PRODUCT37a} ${BIN}
# mv ${PRODUCT37a} ${AMO_BIN}
${PRODUCT37b}: $(OBJECTS37b)
$(F90) $(PROFFLAG37b) $(F90FLAGS) -o $(PRODUCT37b) $(OBJECTS37b) $(LIBS37b)
mv ${PRODUCT37b} ${BIN}
# mv ${PRODUCT37b} ${AMO_BIN}
${PRODUCT37c}: $(OBJECTS37c)
$(F90) $(PROFFLAG37c) $(F90FLAGS) -o $(PRODUCT37c) $(OBJECTS37c) $(LIBS37c)
mv ${PRODUCT37c} ${BIN}
# mv ${PRODUCT37c} ${AMO_BIN}
${PRODUCT37d}: $(OBJECTS37d)
$(F90) $(PROFFLAG37d) $(F90FLAGS) -o $(PRODUCT37d) $(OBJECTS37d) $(LIBS37d)
mv ${PRODUCT37d} ${BIN}
# mv ${PRODUCT37d} ${AMO_BIN}
${PRODUCT37e}: $(OBJECTS37e)
$(F90) $(PROFFLAG37e) $(F90FLAGS) -o $(PRODUCT37e) $(OBJECTS37e) $(LIBS37e)
mv ${PRODUCT37e} ${BIN}
# mv ${PRODUCT37e} ${AMO_BIN}
${PRODUCT38}: $(OBJECTS38)
$(F90) $(PROFFLAG38) $(F90FLAGS) -o $(PRODUCT38) $(OBJECTS38) $(LIBS38)
mv ${PRODUCT38} ${BIN}
# mv ${PRODUCT38} ${AMO_BIN}
${PRODUCT38a}: $(OBJECTS38a)
$(F90) $(PROFFLAG38a) $(F90FLAGS) -o $(PRODUCT38a) $(OBJECTS38a) $(LIBS38a)
mv ${PRODUCT38a} ${BIN}
# mv ${PRODUCT38a} ${AMO_BIN}
# pattern rules
c = $(C) $(CFLAGS) $(INCLUDE) -c $< -o $@
cc = $(CXX) $(CXXFLAGS) $(INCLUDE) -c $< -o $@
f90 = $(F90) $(F90FLAGS) $(INCLUDE) -c $< -o $@
f77 = $(FC) $(FCFLAGS) $(INCLUDE) -c $< -o $@
mpif90 = $(MPI) $(F90FLAGS) $(INCLUDE) -c $< -o $@
%.o:%.c
${c}
%.o:%.C
${cc}
%.o:%.f
${f90} -J${SRC}
%.o:%.f90
${f90} -J${SRC}
%.mpo:%.f90
${mpif90}
list:
-@echo "#"
-@echo "#"
-@echo "# h1e (fxd/free)"
-@echo "#"
-@echo "#"
-@echo "# 1 : " ${PRODUCT1} " o:" ${OBJECTS1}
-@echo "# 2 : h1e eigen energies/ bsp-coefficients : " ${PRODUCT2} " o:" ${OBJECTS2}
-@echo "# 3 : w1e/d1e 1e-wavefunctions/dipoles : " ${PRODUCT3} " o:" ${OBJECTS3}
-@echo "#"
-@echo "#"
-@echo "# h2e (fxd)"
-@echo "#"
-@echo "#"
-@echo "# 4 : ci (1/r_12) matrix elements for h2eb : " ${PRODUCT4} " o:" ${OBJECTS4}
-@echo "# 5 : h2e eigen energies/coefficients : " ${PRODUCT5} " o:" ${OBJECTS5}
-@echo "# 6 : w2e 2e-wavefunctions : " ${PRODUCT6} " o:" ${OBJECTS6}
-@echo "# 6 : w2e 2e-wavefunctions : " ${PRODUCT7} " o:" ${OBJECTS7}
-@echo "# 8 : normalization (hnorm) " ${PRODUCT8} " o:" ${OBJECTS8}
-@echo "# 9 : dipoles normalization : " ${PRODUCT9} " o:" ${OBJECTS9}
-@echo "# 10 : netCDF dipole files : " ${PRODUCT10} " o:" ${OBJECTS10}
-@echo "# 10a : netCDF test : " ${PRODUCT10a} " o:" ${OBJECTS10a}
-@echo "#"
-@echo "#"
-@echo "# h2e (free)"
-@echo "#"
-@echo "#"
-@echo "# 14 : ci (1/r_12) matrix elements for h2ef : " ${PRODUCT14} " o:" ${OBJECTS14}
-@echo "# 15 : h2e eigen energies/coefficients : " ${PRODUCT15} " o:" ${OBJECTS15}
-@echo "# 16 : k2e-matrix normalization : " ${PRODUCT16} " o:" ${OBJECTS16}
-@echo "# 17 : bound- free 2e dipoles : " ${PRODUCT17} " o:" ${OBJECTS17}
-@echo "# 17b: bound- free 2e dipoles : " ${PRODUCT17b} " o:" ${OBJECTS17b}
-@echo "# 18 : free - free 2e dipoles : " ${PRODUCT18} " o:" ${OBJECTS18}
-@echo "# 19 : normalization of b-f 2e dipoles : " ${PRODUCT19} " o:" ${OBJECTS19}
-@echo "# 20 : normalization of f-f 2e dipoles : " ${PRODUCT20} " o:" ${OBJECTS20}
-@echo "#"
-@echo "#"
-@echo "# LOPT"
-@echo "#"
-@echo "#"
-@echo "# 21 : single-photon cross section free b.c. : " ${PRODUCT21} " o:" ${OBJECTS21}
-@echo "# 22 : two-photon cross section free b.b : " ${PRODUCT22} " o:" ${OBJECTS22}
-@echo "# 23 : single-photon cross section fxd b.c. : " ${PRODUCT23} " o:" ${OBJECTS23}
-@echo "# 24 : two-photon cross section fxd b.c : " ${PRODUCT24} " o:" ${OBJECTS24}
-@echo "# 25 : csN-photon interface : " ${PRODUCT25} " o:" ${OBJECTS25}
-@echo "# 26 : csN-photon (main program) : " ${PRODUCT26} " o:" ${OBJECTS26}
-@echo "# 27 : csN-photon read : " ${PRODUCT27} " o:" ${OBJECTS27}
-@echo "# 28 : csN-photon total : " ${PRODUCT28} " o:" ${OBJECTS28}
-@echo "# 29a : stark : " ${PRODUCT29a} " o:" ${OBJECTS29a}
-@echo "# 29b : shift : " ${PRODUCT29b} " o:" ${OBJECTS29b}
-@echo "#"
-@echo "#"
-@echo "# TDSE"
-@echo "#"
-@echo "#"
-@echo "# 30 tdse main 1e system : " ${PRODUCT30} " o:" ${OBJECTS30}
-@echo "# 30a tdse pes 1e system : " ${PRODUCT30a} " o:" ${OBJECTS30a}
-@echo "# 30b tdse hg 1e system : " ${PRODUCT30b} " o:" ${OBJECTS30b}
-@echo "# 30c tdse flux 1e system : " ${PRODUCT30c} " o:" ${OBJECTS30c}
-@echo "# 31 tdse(cos) 2e system : " ${PRODUCT31} " o:" ${OBJECTS31}
-@echo "# 32 tdse 2e system : " ${PRODUCT32} " o:" ${OBJECTS32}
-@echo "# 32a tdse(ramp) 2e system : " ${PRODUCT32a} " o:" ${OBJECTS32a}
-@echo "# 33 tdse pad : " ${PRODUCT33} " o:" ${OBJECTS33}
-@echo "# 34 tdse read dipoles (aux) : " ${PRODUCT34} " o:" ${OBJECTS34}
-@echo "# 35 tdse read coefficients (aux) : " ${PRODUCT35} " o:" ${OBJECTS35}
-@echo "# 36 tdse plotting 2d : " ${PRODUCT36} " o:" ${OBJECTS36}
info:
-@echo "# ==================================================="
-@echo "# "
-@echo "# "
-@echo "# Package fortran-amo: "
-@echo "# Source programs 1993-2013 for 1e/2e atomic systems"
-@echo "# contains: "
-@echo "# h1e/h2e(fxd,free)/lopt/tdse "
-@echo "#"
-@echo "# Version xxx first compiled 28032005UOP"
-@echo "#"
-@echo "#"
-@echo "# 1993/uoc/iesl/uop/ifa/qub/dcu/2013"
-@echo "#"
-@echo "#"
-@echo "# maintened by:" ${MY_NAME}
-@echo "# e-mail :" ${MY_EMAIL}
-@echo "# institute:" ${MY_INSTITUTE}
-@echo "# homepage:" ${MY_HOMEPAGE}
-@echo "#"
-@echo "#-----------------------------------------------------"
-@echo "#"
-@echo "# Date:" `date`
-@echo "# hostname:" `hostname`
-@echo "# Machine:" `uname -a`
-@echo "# username:" ${LOGNAME}
-@echo "# directory:" ${PWD}
-@echo "#-----------------------------------------------------"
-@echo "# vendor compiler: ${CMP}"
-@echo "# Loading Fortran compiler: ${FC},${F90}"
-@echo "# Fortran flags : ${F90FLAGS},${FCFLAGS},${F95FLAGS}"
-@echo "# Loading C/C++ compiler: ${CC},${C}"
-@echo "# C/C++ flags : ${CXXFLAGS},${CFLAGS}"
-@echo "#-----------------------------------------------------"
-@echo "# Using include paths: ${INCLUDE}"
-@echo "#"
-@echo "# Loading libraries:"
-@echo "# ${LINK_SLATEC}"
-@echo "# ${LINK_LAPACK}"
-@echo "# ${LINK_BLAS}"
-@echo "# ${LINK_NAG17}"
-@echo "# ${LINK_NETCDF_F}"
-@echo "# ${LINK_NETCDF_C}"
-@echo "# ${LINK_ODE}"
-@echo "# ${LINK_GSL}"
-@echo "# ==================================================="
cleanbin:
for f in $(PRODUCT); do \
if test -e ${BIN}/$$f; then \
echo "Makefile:: Removing $$f"; \
rm ${BIN}/$$f; \
fi; \
done
cleanfxd:
for f in $(FXD_EXE); do \
if test -e ${BIN}/$$f; then \
echo "Makefile:: Removing $$f"; \
rm ${BIN}/$$f; \
fi; \
done
cleanfree:
for f in ${BIN}/$(FXD_EXE); do \
if test -e $$f; then \
echo "Makefile:: Removing $$f"; \
rm $$f; \
fi; \
done
cleanlopt:
for f in $(LOPT_EXE); do \
if test -e ${BIN}/$$f; then \
echo "Makefile:: Removing $$f"; \
rm ${BIN}/$$f; \
fi; \