Paolo Giannozzi a5088552b2 Another misspell		2024-09-14 16:42:12 +02:00
..
CMakeLists.txt	Useless BLAS interfaces removed	2024-08-21 09:24:51 +02:00
Makefile	Useless BLAS interfaces removed	2024-08-21 09:24:51 +02:00
additional_kpoints.f90	…
allocate_fft_3drism.f90	…
atom_weight.f90	…
atomic_wfc_mod.f90	Minor cleanup	2024-05-03 19:31:23 +02:00
autopilot.f90	…
basic_algebra_routines.f90	…
becmod.f90	End CUF support in becmod module (remove calbec_cuf)	2024-08-14 11:19:41 +02:00
bfgs_module.f90	…
bspline.f90	…
bz_form.f90	Another misspell	2024-09-14 16:42:12 +02:00
capital.f90	…
cell_base.f90	…
check_stop.f90	…
chempot.f90	…
chempot_lauerism.f90	…
closure.f90	…
command_line_options.f90	…
compute_dipole.f90	…
constants.f90	…
constraints_module.f90	…
control_flags.f90	Oops, too_many_ffts for CPU case	2024-07-05 09:18:13 +02:00
corrdipole_laue.f90	…
correctat0_vv.f90	…
corrgxy0_laue.f90	…
coulomb_vcut.f90	…
cryst_to_car.f90	…
cryst_to_car_2d.f90	…
customize_signals.c	…
data_structure_3drism.f90	…
date_and_tim.f90	…
deviatoric.f90	…
dist.f90	…
do_1drism.f90	…
do_3drism.f90	…
do_lauerism.f90	…
electrons_base.f90	…
environ_api_stub.f90	…
environ_base_module.f90	…
environment.f90	…
eqn_1drism.f90	…
eqn_3drism.f90	…
eqn_lauedipole.f90	…
eqn_lauegxy0.f90	…
eqn_lauelong.f90	…
eqn_lauerism.f90	…
eqn_laueshort.f90	…
eqn_lauevoid.f90	…
err_rism.f90	…
expint.f90	…
extffield.f90	…
fd_gradient.f90	…
fft_base.f90	…
fft_rho.f90	…
fft_wave.f90	…
fox_init_module.f90	…
fsockets.f90	…
funct.f90	Allow meta-ggas with a hybrid, exchange correlation type	2024-06-04 17:11:25 +09:00
generate_function.f90	…
generate_k_along_lines.f90	…
gradutils.f90	…
guess_3drism.f90	…
gvecw.f90	…
has_xml.f90	…
hdf5_qe.f90	…
init_1drism.f90	…
init_3drism.f90	…
inpfile.f90	…
input_1drism.f90	…
input_3drism.f90	…
input_parameters.f90	…
int_to_char.f90	…
invmat.f90	…
io_base.f90	…
io_files.f90	…
io_global.f90	…
io_rism_xml.f90	…
ions_base.f90	Fixes relax-extfor failure.	2024-05-24 16:44:15 -05:00
kind.f90	…
latgen.f90	…
lauefft.f90	…
lauefft_subs.f90	…
linpack.f90	…
lj_forcefield.f90	…
lj_solute.f90	…
lmdif.f90	…
makov_payne.f90	…
matches.f90	…
mbdlib.f90	…
mdiis.f90	…
mm_dispersion.f90	…
molebridge_vv.f90	…
molecorr_vv.f90	…
molecule_const.f90	…
molecule_types.f90	…
more_functionals.f90	…
mp_bands.f90	…
mp_exx.f90	…
mp_global.f90	Stop if task groups are set on GPU execution (does not work)	2024-06-19 12:37:19 +02:00
mp_images.f90	…
mp_pools.f90	…
mp_rism.f90	…
mp_swap_ax_rism.f90	…
mp_wave.f90	…
mp_world.f90	…
noncol.f90	…
normalize_lauerism.f90	…
open_close_input_file.f90	…
parameters.f90	…
parser.f90	…
plot_io.f90	…
plot_rism.f90	…
plugin_arguments.f90	…
plugin_flags.f90	…
plugin_variables.f90	…
potential_3drism.f90	…
potential_esm.f90	…
potential_vv.f90	…
print_chempot_3drism.f90	…
print_chempot_lauerism.f90	…
print_chempot_vv.f90	…
print_corr_vv.f90	…
print_solvavg.f90	…
printout_base.f90	…
pw_dot.f90	…
qeh5_module.f90	Non-collinear Koopmans-Wannier functionals (KCW)	2024-08-13 09:06:28 +00:00
qes_bcast_module.f90	…
qes_init_module.f90	…
qes_libs_module.f90	…
qes_read_module.f90	…
qes_reset_module.f90	…
qes_types_module.f90	…
qes_write_module.f90	…
qexsd.f90	…
qexsd_copy.f90	fix-cp with the new-new schema	2024-04-12 15:43:42 +02:00
qexsd_init.f90	use new xml locations for wf_collect and natomwfc	2024-04-12 09:05:13 +02:00
qexsd_input.f90	…
qmmm.f90	…
qmmm_aux.c	…
radfft.f90	…
radial_gradients.f90	Vpaw_acc - offload switch removed in radial_gradient	2024-05-03 14:31:30 +02:00
random_numbers.f90	…
random_numbers_gpu.f90	…
read_cards.f90	Merge branch 'requests' into 'develop'	2024-07-17 11:49:42 +00:00
read_input.f90	…
read_mol.f90	…
read_namelists.f90	…
read_pseudo.f90	…
read_solv.f90	…
recips.f90	…
recvec.f90	…
recvec_3drism.f90	…
recvec_subs.f90	…
remove_tot_torque.f90	…
rgen.f90	…
rism.f90	…
rism1d_facade.f90	…
rism3d_facade.f90	…
rms_residual.f90	…
run_info.f90	…
scale_fft_3drism.f90	…
scale_fft_lauerism.f90	…
set_para_diag.f90	…
set_signal.f90	…
set_vdw_corr.f90	…
setqf.f90	…
sockets.c	…
solute.f90	…
solvation_3drism.f90	…
solvation_esm.f90	…
solvation_force.f90	…
solvation_lauerism.f90	…
solvation_pbc.f90	…
solvation_stress.f90	…
solvavg.f90	…
solvmol.f90	…
sort.f90	…
space_group.f90	…
summary_1drism.f90	…
summary_3drism.f90	…
suscept_g0.f90	…
suscept_laue.f90	…
suscept_laueint.f90	…
suscept_vv.f90	…
test_input_file.f90	…
timestep.f90	…
trimcheck.f90	…
tsvdw.f90	Workaround flang bug.	2024-04-16 12:30:53 -05:00
version.f90	…
volume.f90	…
w0gauss.f90	…
w1gauss.f90	…
wannier_gw.f90	…
wannier_new.f90	…
wave_gauge.f90	…
wavefunctions.f90	Fix CPU compilation	2024-04-23 14:24:59 +02:00
wgauss.f90	…
write_rism_type.f90	…
ws_base.f90	…
wyckoff.f90	…
wypos.f90	…
xc_rVV10.f90	…
xc_vdW_DF.f90	…
xml_io_rism.f90	…
xsf.f90	…
zvscal.f90	…