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CMakeLists.txt
CMakeLists.txt
 
 
Makefile
Makefile
 
 
additional_kpoints.f90
additional_kpoints.f90
 
 
allocate_fft_3drism.f90
allocate_fft_3drism.f90
 
 
atom_weight.f90
atom_weight.f90
 
 
atomic_wfc_mod.f90
atomic_wfc_mod.f90
 
 
autopilot.f90
autopilot.f90
 
 
basic_algebra_routines.f90
basic_algebra_routines.f90
 
 
becmod.f90
becmod.f90
 
 
bfgs_module.f90
bfgs_module.f90
 
 
bspline.f90
bspline.f90
 
 
bz_form.f90
bz_form.f90
 
 
capital.f90
capital.f90
 
 
cell_base.f90
cell_base.f90
 
 
cell_nose.f90
cell_nose.f90
 
 
check_stop.f90
check_stop.f90
 
 
chempot.f90
chempot.f90
 
 
chempot_lauerism.f90
chempot_lauerism.f90
 
 
closure.f90
closure.f90
 
 
command_line_options.f90
command_line_options.f90
 
 
compute_dipole.f90
compute_dipole.f90
 
 
constants.f90
constants.f90
 
 
constraints_module.f90
constraints_module.f90
 
 
control_flags.f90
control_flags.f90
 
 
copy_order_um_from_xml.f90
copy_order_um_from_xml.f90
 
 
corrdipole_laue.f90
corrdipole_laue.f90
 
 
correctat0_vv.f90
correctat0_vv.f90
 
 
corrgxy0_laue.f90
corrgxy0_laue.f90
 
 
coulomb_vcut.f90
coulomb_vcut.f90
 
 
cryst_to_car.f90
cryst_to_car.f90
 
 
cryst_to_car_2d.f90
cryst_to_car_2d.f90
 
 
customize_signals.c
customize_signals.c
 
 
data_structure_3drism.f90
data_structure_3drism.f90
 
 
date_and_tim.f90
date_and_tim.f90
 
 
deviatoric.f90
deviatoric.f90
 
 
dist.f90
dist.f90
 
 
do_1drism.f90
do_1drism.f90
 
 
do_3drism.f90
do_3drism.f90
 
 
do_lauerism.f90
do_lauerism.f90
 
 
electrons_base.f90
electrons_base.f90
 
 
environ_api_stub.f90
environ_api_stub.f90
 
 
environ_base_module.f90
environ_base_module.f90
 
 
environment.f90
environment.f90
 
 
eqn_1drism.f90
eqn_1drism.f90
 
 
eqn_3drism.f90
eqn_3drism.f90
 
 
eqn_lauedipole.f90
eqn_lauedipole.f90
 
 
eqn_lauegxy0.f90
eqn_lauegxy0.f90
 
 
eqn_lauelong.f90
eqn_lauelong.f90
 
 
eqn_lauerism.f90
eqn_lauerism.f90
 
 
eqn_laueshort.f90
eqn_laueshort.f90
 
 
eqn_lauevoid.f90
eqn_lauevoid.f90
 
 
err_rism.f90
err_rism.f90
 
 
expint.f90
expint.f90
 
 
extffield.f90
extffield.f90
 
 
fd_gradient.f90
fd_gradient.f90
 
 
fft_base.f90
fft_base.f90
 
 
fft_rho.f90
fft_rho.f90
 
 
fft_wave.f90
fft_wave.f90
 
 
fox_init_module.f90
fox_init_module.f90
 
 
fsockets.f90
fsockets.f90
 
 
funct.f90
funct.f90
 
 
generate_function.f90
generate_function.f90
 
 
generate_k_along_lines.f90
generate_k_along_lines.f90
 
 
gradutils.f90
gradutils.f90
 
 
guess_3drism.f90
guess_3drism.f90
 
 
gvecw.f90
gvecw.f90
 
 
has_xml.f90
has_xml.f90
 
 
hdf5_qe.f90
hdf5_qe.f90
 
 
init_1drism.f90
init_1drism.f90
 
 
init_3drism.f90
init_3drism.f90
 
 
inpfile.f90
inpfile.f90
 
 
input_1drism.f90
input_1drism.f90
 
 
input_3drism.f90
input_3drism.f90
 
 
input_parameters.f90
input_parameters.f90
 
 
int_to_char.f90
int_to_char.f90
 
 
invmat.f90
invmat.f90
 
 
io_base.f90
io_base.f90
 
 
io_files.f90
io_files.f90
 
 
io_global.f90
io_global.f90
 
 
io_rism_xml.f90
io_rism_xml.f90
 
 
ions_base.f90
ions_base.f90
 
 
ions_nose.f90
ions_nose.f90
 
 
kind.f90
kind.f90
 
 
latgen.f90
latgen.f90
 
 
lauefft.f90
lauefft.f90
 
 
lauefft_subs.f90
lauefft_subs.f90
 
 
linpack.f90
linpack.f90
 
 
lj_forcefield.f90
lj_forcefield.f90
 
 
lj_solute.f90
lj_solute.f90
 
 
lmdif.f90
lmdif.f90
 
 
makov_payne.f90
makov_payne.f90
 
 
matches.f90
matches.f90
 
 
mbdlib.f90
mbdlib.f90
 
 
mdiis.f90
mdiis.f90
 
 
mm_dispersion.f90
mm_dispersion.f90
 
 
molebridge_vv.f90
molebridge_vv.f90
 
 
molecorr_vv.f90
molecorr_vv.f90
 
 
molecule_const.f90
molecule_const.f90
 
 
molecule_types.f90
molecule_types.f90
 
 
more_functionals.f90
more_functionals.f90