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Name Date Size #Lines LOC

..03-May-2022-

aobasis/H18-May-2020-22,89615,302

arnoldi/H18-May-2020-3,1411,774

base/H18-May-2020-1,144579

common/H18-May-2020-38,87126,455

dbcsrx/H18-May-2020-1,161698

emd/H18-May-2020-3,6292,645

eri_mme/H18-May-2020-4,6032,838

fm/H18-May-2020-12,3097,316

grid/H18-May-2020-45,47438,888

hfxbase/H18-May-2020-182,819160,736

input/H18-May-2020-8,6125,935

metadyn_tools/H18-May-2020-1,7421,265

minimax/H18-May-2020-49,95146,115

motion/H18-May-2020-77,25553,058

mpiwrap/H18-May-2020-8,7024,958

pw/H18-May-2020-43,99630,114

pw_env/H18-May-2020-982630

shg_int/H18-May-2020-4,0272,757

start/H18-May-2020-7,8025,770

subsys/H18-May-2020-10,9637,662

swarm/H18-May-2020-4,5342,903

tmc/H18-May-2020-16,98611,303

xc/H18-May-2020-49,83639,803

PACKAGEH A D18-May-2020346 86

README.mdH A D18-May-2020173 63

admm_dm_methods.FH A D18-May-202025.3 KiB570382

admm_dm_types.FH A D18-May-20204.9 KiB12168

admm_methods.FH A D18-May-2020118.5 KiB2,4691,637

admm_types.FH A D18-May-202025.8 KiB491366

admm_utils.FH A D18-May-20207.7 KiB177104

al_system_types.FH A D18-May-20205.9 KiB14277

almo_scf.FH A D18-May-2020139.1 KiB2,9032,096

almo_scf_diis_types.FH A D18-May-202022.5 KiB569333

almo_scf_env_methods.FH A D18-May-202031.3 KiB552342

almo_scf_lbfgs_types.FH A D18-May-202013 KiB331137

almo_scf_methods.FH A D18-May-2020145.7 KiB3,4722,041

almo_scf_optimizer.FH A D18-May-2020483.8 KiB11,0566,940

almo_scf_qs.FH A D18-May-202073 KiB1,611972

almo_scf_types.FH A D18-May-202026.4 KiB585340

atom.FH A D18-May-20206.3 KiB14691

atom_admm_methods.FH A D18-May-202025.5 KiB470391

atom_basis.FH A D18-May-202013.3 KiB281210

atom_electronic_structure.FH A D18-May-202033.3 KiB795595

atom_energy.FH A D18-May-202041.2 KiB908710

atom_fit.FH A D18-May-202092.9 KiB2,0921,735

atom_grb.FH A D18-May-202051.3 KiB1,254981

atom_kind_orbitals.FH A D18-May-202053 KiB1,3431,114

atom_operators.FH A D18-May-202051.5 KiB1,253997

atom_optimization.FH A D18-May-20209.6 KiB243157

atom_output.FH A D18-May-202042 KiB894692

atom_pseudo.FH A D18-May-202019.7 KiB414315

atom_sgp.FH A D18-May-202045.5 KiB1,184918

atom_types.FH A D18-May-2020118.4 KiB3,0962,588

atom_upf.FH A D18-May-202035.3 KiB889708

atom_utils.FH A D18-May-2020113.2 KiB2,8422,001

atom_xc.FH A D18-May-202059.6 KiB1,354971

atomic_charges.FH A D18-May-20209.6 KiB229146

atoms_input.FH A D18-May-202024.1 KiB474376

auto_basis.FH A D18-May-202032.6 KiB872687

basis_set_output.FH A D18-May-20208.7 KiB187130

beta_gamma_psi.FH A D18-May-202077.4 KiB2,3411,412

block_p_types.FH A D18-May-20201.1 KiB257

bse.FH A D18-May-202025.5 KiB651346

bsse.FH A D18-May-202029.4 KiB648431

call_integrate.f90H A D18-May-20202.3 KiB3635

cell_methods.FH A D18-May-202025.6 KiB558381

colvar_methods.FH A D18-May-2020274.9 KiB6,1814,884

colvar_utils.FH A D18-May-202036 KiB796586

commutator_rkinetic.FH A D18-May-202015.9 KiB354212

commutator_rpnl.FH A D18-May-202053.9 KiB927634

constraint.FH A D18-May-202043.2 KiB894628

constraint_3x3.FH A D18-May-202040.1 KiB872594

constraint_4x6.FH A D18-May-202058 KiB1,216921

constraint_clv.FH A D18-May-202044.9 KiB1,019584

constraint_fxd.FH A D18-May-202023.2 KiB553430

constraint_util.FH A D18-May-202028.7 KiB666459

constraint_vsite.FH A D18-May-202012 KiB265160

core_ae.FH A D18-May-202026.6 KiB580391

core_ppl.FH A D18-May-202036.6 KiB815564

core_ppnl.FH A D18-May-202029.9 KiB626436

cp2k_debug.FH A D18-May-202025.6 KiB493407

cp2k_info.FH A D18-May-202014.3 KiB375170

cp_control_types.FH A D18-May-202059.8 KiB1,266819

cp_control_utils.FH A D18-May-2020109.1 KiB2,0861,720

cp_dbcsr_cholesky.FH A D18-May-202014.9 KiB384243

cp_dbcsr_cp2k_link.FH A D18-May-202033.9 KiB719546

cp_dbcsr_diag.FH A D18-May-202012 KiB275144

cp_dbcsr_operations.FH A D18-May-202072.2 KiB1,549937

cp_dbcsr_output.FH A D18-May-202028.9 KiB717495

cp_ddapc.FH A D18-May-202028.2 KiB562423

cp_ddapc_forces.FH A D18-May-202026.9 KiB596436

cp_ddapc_methods.FH A D18-May-202040.9 KiB953707

cp_ddapc_types.FH A D18-May-202022.8 KiB477350

cp_ddapc_util.FH A D18-May-202042.7 KiB902695

cp_eri_mme_interface.FH A D18-May-202040.5 KiB863633

cp_external_control.FH A D18-May-202010.6 KiB230143

cp_gemm_interface.FH A D18-May-20206.7 KiB157101

cp_realspace_grid_cube.FH A D18-May-20206 KiB13668

cp_realspace_grid_init.FH A D18-May-20205 KiB10057

cp_subsys_methods.FH A D18-May-202021 KiB408267

cp_symmetry.FH A D18-May-20208.4 KiB189125

cryssym.FH A D18-May-202022.1 KiB579407

csvr_system_types.FH A D18-May-20207.3 KiB16595

csvr_system_utils.FH A D18-May-20206.6 KiB14044

ct_methods.FH A D18-May-202072 KiB1,7601,074

ct_types.FH A D18-May-202020.7 KiB458229

debug_os_integrals.FH A D18-May-202025.7 KiB616440

dft_plus_u.FH A D18-May-202082.4 KiB2,0281,430

distribution_2d_types.FH A D18-May-202028.8 KiB586428

distribution_methods.FH A D18-May-202064 KiB1,398975

dkh_main.FH A D18-May-2020125.5 KiB2,8141,195

dm_ls_chebyshev.FH A D18-May-202019.1 KiB400277

dm_ls_scf.FH A D18-May-202057 KiB1,242857

dm_ls_scf_create.FH A D18-May-202024.3 KiB462345

dm_ls_scf_curvy.FH A D18-May-202039 KiB871556

dm_ls_scf_methods.FH A D18-May-202057.2 KiB1,299867

dm_ls_scf_qs.FH A D18-May-202034.8 KiB763512

dm_ls_scf_types.FH A D18-May-20208.7 KiB224156

domain_submatrix_methods.FH A D18-May-202063.4 KiB1,6881,058

domain_submatrix_types.FH A D18-May-20202.2 KiB5125

ec_efield_local.FH A D18-May-202017 KiB379279

ec_env_types.FH A D18-May-20208.2 KiB176114

ec_environment.FH A D18-May-202011.5 KiB235179

efield_tb_methods.FH A D18-May-202036.8 KiB811659

efield_utils.FH A D18-May-202011.8 KiB252180

eip_environment.FH A D18-May-202011.5 KiB255149

eip_environment_types.FH A D18-May-202024.2 KiB498293

eip_silicon.FH A D18-May-2020114.7 KiB3,0212,130

embed_environment.FH A D18-May-20207.7 KiB17199

embed_main.FH A D18-May-20209.2 KiB183134

embed_types.FH A D18-May-202019.4 KiB400278

energy_corrections.FH A D18-May-202091.4 KiB1,9311,450

environment.FH A D18-May-202059.2 KiB1,256888

et_coupling.FH A D18-May-202011.8 KiB271198

et_coupling_proj.FH A D18-May-202081.7 KiB2,0351,267

et_coupling_types.FH A D18-May-20205.6 KiB13967

ewald_environment_types.FH A D18-May-202026.6 KiB586405

ewald_methods_tb.FH A D18-May-202017.7 KiB413293

ewald_pw_methods.FH A D18-May-20208.5 KiB191129

ewald_pw_types.FH A D18-May-202019.1 KiB437304

ewald_spline_util.FH A D18-May-202019.4 KiB435302

ewalds.FH A D18-May-202022 KiB477334

ewalds_multipole.FH A D18-May-2020104.1 KiB2,1911,653

ewalds_multipole_sr.fyppH A D18-May-202066.9 KiB1,1741,102

exclusion_types.FH A D18-May-20202.9 KiB6935

extended_system_types.FH A D18-May-20207.6 KiB191122

external_potential_methods.FH A D18-May-20207.1 KiB143111

f77_interface.FH A D18-May-202069 KiB1,489967

farming_methods.FH A D18-May-202014.5 KiB320251

farming_types.FH A D18-May-20206 KiB13677

fermi_utils.FH A D18-May-202017.9 KiB471275

fist_efield_methods.FH A D18-May-202013.2 KiB307228

fist_efield_types.FH A D18-May-20203.5 KiB7736

fist_energy_types.FH A D18-May-20204.1 KiB11452

fist_environment.FH A D18-May-202016.7 KiB328232

fist_environment_types.FH A D18-May-202022.5 KiB490331

fist_force.FH A D18-May-202045.7 KiB919761

fist_intra_force.FH A D18-May-202031.1 KiB584473

fist_main.FH A D18-May-20204.8 KiB10851

fist_neighbor_list_control.FH A D18-May-202015.3 KiB314235

fist_neighbor_list_types.FH A D18-May-202017.4 KiB365251

fist_neighbor_lists.FH A D18-May-202040.6 KiB847646

fist_nonbond_env_types.FH A D18-May-202026.1 KiB517350

fist_nonbond_force.FH A D18-May-202054.8 KiB1,102801

fist_pol_scf.FH A D18-May-202037.4 KiB726485

force_env_methods.FH A D18-May-2020111.1 KiB2,1591,628

force_env_types.FH A D18-May-202032.2 KiB709470

force_env_utils.FH A D18-May-202025.8 KiB563432

force_field_types.FH A D18-May-202037.5 KiB935755

force_fields.FH A D18-May-202016.4 KiB314201

force_fields_all.FH A D18-May-2020174.8 KiB3,4862,857

force_fields_ext.FH A D18-May-202041.1 KiB815637

force_fields_input.FH A D18-May-2020104 KiB2,0231,521

force_fields_util.FH A D18-May-202071.8 KiB1,3751,095

fp_methods.FH A D18-May-202010.1 KiB237153

fp_types.FH A D18-May-202010.2 KiB231143

free_energy_types.FH A D18-May-20208.9 KiB193135

generic_os_integrals.FH A D18-May-202042.3 KiB966698

gle_system_types.FH A D18-May-20209.3 KiB256184

global_types.FH A D18-May-20206.7 KiB15478

graphcon.FH A D18-May-202023.7 KiB576354

group_dist_types.FH A D18-May-202011.7 KiB313166

grrm_utils.FH A D18-May-20205.8 KiB144100

hartree_local_methods.FH A D18-May-202030.6 KiB729467

hartree_local_types.FH A D18-May-20207.6 KiB211100

header.FH A D18-May-202024 KiB440309

hfx_admm_utils.FH A D18-May-202067.4 KiB1,4071,094

hfx_communication.FH A D18-May-202025.3 KiB605418

hfx_compression_methods.FH A D18-May-202023.3 KiB461267

hfx_derivatives.FH A D18-May-2020118.2 KiB2,3781,696

hfx_energy_potential.FH A D18-May-2020139.8 KiB2,9702,136

hfx_get_pmax_val.f90H A D18-May-20208.5 KiB229203

hfx_helpers.FH A D18-May-20203.4 KiB8841

hfx_libint_interface.FH A D18-May-202076.2 KiB1,9521,603

hfx_load_balance_methods.FH A D18-May-2020116.8 KiB2,5521,719

hfx_pair_list_methods.FH A D18-May-202032.5 KiB721534

hfx_ri.FH A D18-May-202074.6 KiB1,5971,188

hfx_screening_methods.FH A D18-May-202039.1 KiB902617

hfx_types.FH A D18-May-2020140.1 KiB2,8992,051

hirshfeld_methods.FH A D18-May-202029.6 KiB647487

hirshfeld_types.FH A D18-May-20209.5 KiB225137

input_constants.FH A D18-May-202063.1 KiB1,151862

input_cp2k_almo.FH A D18-May-202057.1 KiB1,027535

input_cp2k_atom.FH A D18-May-202067 KiB1,262969

input_cp2k_atprop.FH A D18-May-20203.4 KiB7743

input_cp2k_binary_restarts.FH A D18-May-202037.9 KiB893674

input_cp2k_check.FH A D18-May-202065.2 KiB1,132911

input_cp2k_colvar.FH A D18-May-2020123.9 KiB2,3881,770

input_cp2k_constraints.FH A D18-May-202037.7 KiB731528

input_cp2k_dft.FH A D18-May-2020544.4 KiB9,7187,970

input_cp2k_distribution.FH A D18-May-20206.3 KiB11878

input_cp2k_ec.FH A D18-May-202018.1 KiB334253

input_cp2k_eip.FH A D18-May-20207.4 KiB14889

input_cp2k_embed.FH A D18-May-202011.4 KiB211148

input_cp2k_field.FH A D18-May-202016.3 KiB344239

input_cp2k_force_eval.FH A D18-May-202020 KiB386288

input_cp2k_free_energy.FH A D18-May-202051 KiB926718

input_cp2k_global.FH A D18-May-202042.3 KiB696582

input_cp2k_hfx.FH A D18-May-202033.9 KiB681529

input_cp2k_kpoints.FH A D18-May-20207.7 KiB154101

input_cp2k_loc.FH A D18-May-202026.8 KiB485386

input_cp2k_ls.FH A D18-May-202036.7 KiB656521

input_cp2k_mixed.FH A D18-May-202039.6 KiB647518

input_cp2k_mm.FH A D18-May-2020133.3 KiB2,5461,941

input_cp2k_motion_print.FH A D18-May-202019.8 KiB329257

input_cp2k_mp2.FH A D18-May-202083.5 KiB1,6221,284

input_cp2k_neb.FH A D18-May-202027.2 KiB504402

input_cp2k_negf.FH A D18-May-202020.4 KiB400286

input_cp2k_poisson.FH A D18-May-202072.8 KiB1,3221,016

input_cp2k_properties_dft.FH A D18-May-202080.4 KiB1,5121,159

input_cp2k_pwdft.FH A D18-May-202016.9 KiB359252

input_cp2k_qmmm.FH A D18-May-202077.7 KiB1,3851,076

input_cp2k_read.FH A D18-May-20203.8 KiB7943

input_cp2k_resp.FH A D18-May-202031.2 KiB552425

input_cp2k_restarts_util.FH A D18-May-20204.8 KiB12082

input_cp2k_rsgrid.FH A D18-May-20205.9 KiB11376

input_cp2k_subsys.FH A D18-May-2020132.1 KiB2,4481,914

input_cp2k_tb.FH A D18-May-202022.9 KiB441327

input_cp2k_thermostats.FH A D18-May-202043.4 KiB851586

input_cp2k_transport.FH A D18-May-202028.4 KiB527403

input_cp2k_xc.FH A D18-May-202079 KiB1,3871,213

input_optimize_basis.FH A D18-May-202022.4 KiB417308

input_optimize_input.FH A D18-May-202013.6 KiB270201

input_restart_force_eval.FH A D18-May-202039.6 KiB884673

input_restart_rng.FH A D18-May-20204.2 KiB11772

integration_grid_types.FH A D18-May-20207.5 KiB180104

ipi_driver.FH A D18-May-202019.8 KiB510322

iterate_matrix.FH A D18-May-202084.1 KiB2,0481,295

kg_correction.FH A D18-May-202036.7 KiB806569

kg_environment.FH A D18-May-202030.9 KiB749490

kg_environment_types.FH A D18-May-20208.6 KiB185108

kg_tnadd_mat.FH A D18-May-202023 KiB505362

kg_vertex_coloring_methods.FH A D18-May-202025.3 KiB711433

kpoint_coulomb_2c.FH A D18-May-202024.7 KiB665377

kpoint_io.FH A D18-May-202020.1 KiB495338

kpoint_methods.FH A D18-May-202057.6 KiB1,3671,044

kpoint_transitional.FH A D18-May-20205.2 KiB13063

kpoint_types.FH A D18-May-202038.1 KiB844532

libint_2c_3c.FH A D18-May-202025.4 KiB590365

libint_wrapper.FH A D18-May-202020.3 KiB609369

library_tests.FH A D18-May-202064.9 KiB1,5041,127

linesearch.FH A D18-May-202031.1 KiB741537

localization_tb.FH A D18-May-202011.5 KiB231176

lri_compression.FH A D18-May-20206.1 KiB180119

lri_environment_init.FH A D18-May-202027.7 KiB605462

lri_environment_methods.FH A D18-May-202060.6 KiB1,340946

lri_environment_types.FH A D18-May-202063.5 KiB1,4641,042

lri_forces.FH A D18-May-202038.5 KiB856573

lri_integrals.FH A D18-May-202032.5 KiB704464

lri_ks_methods.FH A D18-May-202015.8 KiB369264

lri_optimize_ri_basis.FH A D18-May-202046.9 KiB1,061721

lri_optimize_ri_basis_types.FH A D18-May-202010.4 KiB247157

ls_matrix_exp.FH A D18-May-202021.3 KiB518332

manybody_eam.FH A D18-May-202011.4 KiB271188

manybody_potential.FH A D18-May-202033.7 KiB663553

manybody_quip.FH A D18-May-20209.1 KiB227164

manybody_siepmann.FH A D18-May-202040.5 KiB895600

manybody_tersoff.FH A D18-May-202037.3 KiB849531

mao_basis.FH A D18-May-202012.3 KiB285204

mao_methods.FH A D18-May-202035.8 KiB806583

mao_optimizer.FH A D18-May-202010.1 KiB203152

mao_types.FH A D18-May-20202.6 KiB6923

mao_wfn_analysis.FH A D18-May-202043.3 KiB871733

matrix_exp.FH A D18-May-202041.9 KiB980732

mdctrl_types.FH A D18-May-20201.7 KiB4017

metadynamics.FH A D18-May-202047.4 KiB1,071780

metadynamics_types.FH A D18-May-202015.5 KiB347228

metadynamics_utils.FH A D18-May-202049.2 KiB969757

minbas_methods.FH A D18-May-202017.3 KiB376289

minbas_wfn_analysis.FH A D18-May-202030 KiB584471

mixed_cdft_methods.FH A D18-May-2020239.2 KiB4,2633,776

mixed_cdft_types.FH A D18-May-202035 KiB660414

mixed_cdft_utils.FH A D18-May-2020108.8 KiB1,9961,679

mixed_energy_types.FH A D18-May-20203.7 KiB9744

mixed_environment.FH A D18-May-20208 KiB179104

mixed_environment_types.FH A D18-May-202019.5 KiB413287

mixed_environment_utils.FH A D18-May-202012.1 KiB242168

mixed_main.FH A D18-May-20209.2 KiB182133

mm_collocate_potential.FH A D18-May-202012.8 KiB285204

mm_mapping_library.FH A D18-May-20208.3 KiB165100

mod.headerH A D18-May-2020656 1513

mode_selective.FH A D18-May-202057.6 KiB1,3571,085

mol_force.FH A D18-May-202028.4 KiB706378

molden_utils.FH A D18-May-202023.2 KiB491338

molecular_dipoles.FH A D18-May-202012.4 KiB242187

molecular_moments.FH A D18-May-202014 KiB282228

molecular_states.FH A D18-May-202017.2 KiB374272

molsym.FH A D18-May-202069.5 KiB1,8001,041

moments_utils.FH A D18-May-20208.9 KiB197153

motion_utils.FH A D18-May-202030 KiB635482

mp2.FH A D18-May-202088.5 KiB2,0591,474

mp2_cphf.FH A D18-May-202087.1 KiB1,8321,424

mp2_direct_method.FH A D18-May-202065 KiB1,4681,039

mp2_eri.FH A D18-May-202068.5 KiB1,5191,124

mp2_eri_gpw.FH A D18-May-202026.3 KiB562364

mp2_gpw.FH A D18-May-202064.3 KiB1,400982

mp2_gpw_method.FH A D18-May-202039.9 KiB884610

mp2_grids.FH A D18-May-202065 KiB1,581946

mp2_integrals.FH A D18-May-202079.2 KiB1,6531,134

mp2_laplace.FH A D18-May-20205.5 KiB14576

mp2_optimize_ri_basis.FH A D18-May-202075 KiB1,7881,293

mp2_ri_2c.FH A D18-May-202066.5 KiB1,590999

mp2_ri_gpw.FH A D18-May-2020149.7 KiB3,0372,181

mp2_ri_grad.FH A D18-May-2020101.4 KiB2,1281,591

mp2_ri_grad_util.FH A D18-May-202071.9 KiB1,6191,178

mp2_ri_libint.FH A D18-May-202060.2 KiB1,351973

mp2_setup.FH A D18-May-202020.4 KiB360283

mp2_types.FH A D18-May-202011.5 KiB312239

mscfg_methods.FH A D18-May-202024.3 KiB509295

mscfg_types.FH A D18-May-202014 KiB340174

mulliken.FH A D18-May-202037.7 KiB915529

negf_alloc_types.FH A D18-May-20202.7 KiB5518

negf_atom_map.FH A D18-May-202011.4 KiB239136

negf_control_types.FH A D18-May-202030.5 KiB618430

negf_env_types.FH A D18-May-202069.2 KiB1,364953

negf_green_cache.FH A D18-May-20206.6 KiB15786

negf_green_methods.FH A D18-May-202017.1 KiB346172

negf_integr_cc.FH A D18-May-202023.7 KiB529320

negf_integr_simpson.FH A D18-May-202030.3 KiB612373

negf_integr_utils.FH A D18-May-202012.4 KiB301141

negf_integr_utils.fyppH A D18-May-2020550 100

negf_matrix_utils.FH A D18-May-202036.3 KiB805552

negf_methods.FH A D18-May-2020151 KiB3,0292,265

negf_subgroup_types.FH A D18-May-20207.8 KiB15673

negf_vectors.FH A D18-May-20207 KiB14771

optbas_fenv_manipulation.FH A D18-May-202022.6 KiB454343

optbas_opt_utils.FH A D18-May-20206.1 KiB13485

optimize_basis.FH A D18-May-202029 KiB623418

optimize_basis_types.FH A D18-May-202010.9 KiB220151

optimize_basis_utils.FH A D18-May-202057.1 KiB1,228864

optimize_dmfet_potential.FH A D18-May-202013.5 KiB318193

optimize_embedding_potential.FH A D18-May-2020164.3 KiB3,7692,493

optimize_input.FH A D18-May-202033.1 KiB682503

outer_scf_control_types.FH A D18-May-20207.1 KiB15176

pair_potential.FH A D18-May-202048.4 KiB1,089862

pair_potential_coulomb.FH A D18-May-20203 KiB7944

pair_potential_types.FH A D18-May-202094.9 KiB2,1471,478

pair_potential_util.FH A D18-May-202015.3 KiB310213

pao_input.FH A D18-May-202031.4 KiB575438

pao_io.FH A D18-May-202032.3 KiB710497

pao_linpot_full.FH A D18-May-20203.1 KiB7839

pao_linpot_rotinv.FH A D18-May-202022.7 KiB506364

pao_main.FH A D18-May-202015.8 KiB387249

pao_methods.FH A D18-May-202056.9 KiB1,241807

pao_ml.FH A D18-May-202031.8 KiB725473

pao_ml_descriptor.FH A D18-May-202018.2 KiB408277

pao_ml_gaussprocess.FH A D18-May-20208.6 KiB207111

pao_ml_neuralnet.FH A D18-May-202013.5 KiB331210

pao_optimizer.FH A D18-May-202015 KiB345193

pao_param.FH A D18-May-202015.3 KiB354219

pao_param_exp.FH A D18-May-202017.2 KiB404241

pao_param_fock.FH A D18-May-20206.9 KiB181110

pao_param_gth.FH A D18-May-202021.5 KiB486333

pao_param_linpot.FH A D18-May-202027.7 KiB616412

pao_potentials.FH A D18-May-202014.2 KiB330213

pao_types.FH A D18-May-202013.2 KiB240110

particle_methods.FH A D18-May-202044 KiB970748

paw_proj_set_types.FH A D18-May-202036.1 KiB881669

pexsi_interface.FH A D18-May-202021.7 KiB496290

pexsi_methods.FH A D18-May-202031.1 KiB633406

pexsi_types.FH A D18-May-202015.4 KiB322178

pilaenv_hack.FH A D18-May-20201.4 KiB323

pme.FH A D18-May-202033.4 KiB748569

pme_tools.FH A D18-May-20206 KiB16192

population_analyses.FH A D18-May-202025.1 KiB583440

preconditioner.FH A D18-May-202019.8 KiB412267

preconditioner_apply.FH A D18-May-202013.9 KiB315184

preconditioner_makes.FH A D18-May-202039.8 KiB807531

preconditioner_solvers.FH A D18-May-202017.4 KiB383218

preconditioner_types.FH A D18-May-20207.2 KiB168104

pw_env_methods.FH A D18-May-202051 KiB1,051784

pw_poisson_read_input.FH A D18-May-202034.2 KiB577440

pwdft_environment.FH A D18-May-202012.5 KiB275178

pwdft_environment_types.FH A D18-May-202014.4 KiB348178

qmmm_create.FH A D18-May-202022.3 KiB438334

qmmm_elpot.FH A D18-May-202011.6 KiB267198

qmmm_ff_fist.FH A D18-May-20205 KiB13283

qmmm_force.FH A D18-May-202012.1 KiB247174

qmmm_gaussian_data.FH A D18-May-202030.9 KiB439379

qmmm_gaussian_init.FH A D18-May-20209.4 KiB207150

qmmm_gaussian_input.FH A D18-May-202063.4 KiB1,0921,006

qmmm_gaussian_types.FH A D18-May-20202.1 KiB4914

qmmm_gpw_energy.FH A D18-May-202043.2 KiB846675

qmmm_gpw_forces.FH A D18-May-202091.6 KiB1,8401,419

qmmm_image_charge.FH A D18-May-202056.3 KiB1,301867

qmmm_init.FH A D18-May-202080.4 KiB1,6431,207

qmmm_links_methods.FH A D18-May-20209 KiB198121

qmmm_per_elpot.FH A D18-May-202020.4 KiB419302

qmmm_pw_grid.FH A D18-May-20209.4 KiB204144

qmmm_se_energy.FH A D18-May-202018.1 KiB351266

qmmm_se_forces.FH A D18-May-202017.7 KiB341252

qmmm_tb_coulomb.FH A D18-May-202012.6 KiB273210

qmmm_tb_methods.FH A D18-May-202068.5 KiB1,4151,123

qmmm_topology_util.FH A D18-May-20209.4 KiB189131

qmmm_types.FH A D18-May-20205.3 KiB12069

qmmm_types_low.FH A D18-May-202037.5 KiB822594

qmmm_util.FH A D18-May-202030.9 KiB650458

qmmmx_create.FH A D18-May-20204.6 KiB9651

qmmmx_force.FH A D18-May-202012.2 KiB239155

qmmmx_types.FH A D18-May-20204.3 KiB9949

qmmmx_update.FH A D18-May-202010.9 KiB205134

qmmmx_util.FH A D18-May-202043.2 KiB826582

qs_active_space_methods.FH A D18-May-202082.8 KiB1,8881,515

qs_active_space_types.FH A D18-May-202015.5 KiB385239

qs_band_structure.FH A D18-May-202021.3 KiB449369

qs_basis_gradient.FH A D18-May-202015.1 KiB332231

qs_block_davidson_types.FH A D18-May-20209 KiB207105

qs_cdft_methods.FH A D18-May-202070.7 KiB1,3751,158

qs_cdft_opt_types.FH A D18-May-202016.2 KiB350214

qs_cdft_scf_utils.FH A D18-May-202023.9 KiB472340

qs_cdft_types.FH A D18-May-202029.9 KiB567347

qs_cdft_utils.FH A D18-May-202068.8 KiB1,3261,101

qs_charge_mixing.FH A D18-May-202010.6 KiB265174

qs_charges_types.FH A D18-May-20205.6 KiB13263

qs_collocate_density.FH A D18-May-2020111.5 KiB2,5351,881

qs_commutators.FH A D18-May-20204.1 KiB9849

qs_condnum.FH A D18-May-202013.5 KiB311214

qs_core_energies.FH A D18-May-202016.7 KiB412256

qs_core_hamiltonian.FH A D18-May-202035.4 KiB716503

qs_density_mixing_types.FH A D18-May-202034.2 KiB754631

qs_dftb3_methods.FH A D18-May-202018.1 KiB387313

qs_dftb_coulomb.FH A D18-May-202034.8 KiB761616

qs_dftb_dispersion.FH A D18-May-202012.5 KiB270199

qs_dftb_matrices.FH A D18-May-202047.9 KiB1,055833

qs_dftb_parameters.FH A D18-May-202033.1 KiB763580

qs_dftb_types.FH A D18-May-20207.2 KiB169102

qs_dftb_utils.FH A D18-May-202038 KiB1,024612

qs_diis.FH A D18-May-202035.2 KiB908568

qs_diis_types.FH A D18-May-20207.7 KiB179101

qs_dispersion_nonloc.FH A D18-May-202068.3 KiB1,531915

qs_dispersion_pairpot.FH A D18-May-2020165.3 KiB3,5063,005

qs_dispersion_types.FH A D18-May-20208.3 KiB177118

qs_dispersion_utils.FH A D18-May-202017.8 KiB307248

qs_dos.FH A D18-May-202013.9 KiB331256

qs_efield_berry.FH A D18-May-202059.8 KiB1,217999

qs_efield_local.FH A D18-May-202018.1 KiB400301

qs_elec_field.FH A D18-May-202013.3 KiB316222

qs_electric_field_gradient.FH A D18-May-202026.9 KiB592474

qs_elf_methods.FH A D18-May-202010.4 KiB218165

qs_energy.FH A D18-May-20205.2 KiB13069

qs_energy_init.FH A D18-May-202017.5 KiB368251

qs_energy_matrix_w.FH A D18-May-20207.9 KiB176120

qs_energy_types.FH A D18-May-20207.8 KiB208138

qs_energy_utils.FH A D18-May-202018.5 KiB426287

qs_energy_window.FH A D18-May-202018.8 KiB337270

qs_environment.FH A D18-May-202086.8 KiB1,7501,370

qs_environment_methods.FH A D18-May-202020.1 KiB422322

qs_environment_types.FH A D18-May-202076.4 KiB1,6011,155

qs_epr_hyp.FH A D18-May-202021.1 KiB391314

qs_external_density.FH A D18-May-20209.6 KiB214150

qs_external_potential.FH A D18-May-202023.5 KiB483339

qs_fb_atomic_halo_types.FH A D18-May-202048 KiB972568

qs_fb_atomic_matrix_methods.FH A D18-May-202038.4 KiB810491

qs_fb_buffer_types.FH A D18-May-202036 KiB845496

qs_fb_com_tasks_types.FH A D18-May-202063.7 KiB1,397803

qs_fb_distribution_methods.FH A D18-May-202038.1 KiB828542

qs_fb_env_methods.FH A D18-May-202060.2 KiB1,256858

qs_fb_env_types.FH A D18-May-202017.9 KiB387223

qs_fb_filter_matrix_methods.FH A D18-May-202067.8 KiB1,460978

qs_fb_hash_table_types.FH A D18-May-202022.2 KiB488265

qs_fb_input.FH A D18-May-20205.4 KiB11584

qs_fb_matrix_data_types.FH A D18-May-202019.2 KiB407239

qs_fb_trial_fns_types.FH A D18-May-202011.3 KiB253129

qs_fermi_contact.FH A D18-May-202012.2 KiB300207

qs_force.FH A D18-May-202034 KiB676528

qs_force_types.FH A D18-May-202027.2 KiB612416

qs_gamma2kp.FH A D18-May-20204.1 KiB9755

qs_gapw_densities.FH A D18-May-20207.8 KiB182131

qs_gcp_method.FH A D18-May-202013.3 KiB307248

qs_gcp_types.FH A D18-May-20203.9 KiB9449

qs_gcp_utils.FH A D18-May-202015.1 KiB252190

qs_grid_atom.FH A D18-May-202024.4 KiB681479

qs_gspace_mixing.FH A D18-May-202070.5 KiB1,5411,221

qs_harmonics_atom.FH A D18-May-202022.2 KiB598396

qs_hash_table_functions.FH A D18-May-20203.1 KiB7934

qs_initial_guess.FH A D18-May-202072.7 KiB1,5811,241

qs_integral_utils.FH A D18-May-20208.1 KiB18683

qs_integrate_potential.FH A D18-May-20202.2 KiB5217

qs_integrate_potential_product.FH A D18-May-202038.2 KiB872611

qs_integrate_potential_single.FH A D18-May-202052.9 KiB1,138889

qs_interactions.FH A D18-May-202045 KiB936708

qs_kind_types.FH A D18-May-2020149.8 KiB3,2332,566

qs_kinetic.FH A D18-May-202020.6 KiB475302

qs_kpp1_env_methods.FH A D18-May-202035.8 KiB790573

qs_kpp1_env_types.FH A D18-May-20207.6 KiB16792

qs_ks_apply_restraints.FH A D18-May-202011.8 KiB243161

qs_ks_atom.FH A D18-May-202041.4 KiB828562

qs_ks_methods.FH A D18-May-202073.3 KiB1,5651,140

qs_ks_qmmm_methods.FH A D18-May-202010 KiB229141

qs_ks_qmmm_types.FH A D18-May-20205.7 KiB12866

qs_ks_types.FH A D18-May-202049.6 KiB971616

qs_ks_utils.FH A D18-May-202087.5 KiB1,8511,422

qs_linres_atom_current.FH A D18-May-202076.1 KiB1,5121,028

qs_linres_current.FH A D18-May-2020140 KiB3,0152,222

qs_linres_current_utils.FH A D18-May-202067.4 KiB1,4891,115

qs_linres_epr_nablavks.FH A D18-May-202044.9 KiB1,001703

qs_linres_epr_ownutils.FH A D18-May-202044 KiB899650

qs_linres_epr_utils.FH A D18-May-202013.1 KiB299201

qs_linres_issc_utils.FH A D18-May-202052.5 KiB1,169770

qs_linres_methods.FH A D18-May-2020109.5 KiB2,5121,840

qs_linres_module.FH A D18-May-202025.1 KiB573374

qs_linres_nmr_epr_common_utils.FH A D18-May-20204.5 KiB10748

qs_linres_nmr_shift.FH A D18-May-202050.3 KiB1,022768

qs_linres_nmr_utils.FH A D18-May-202015.5 KiB345245

qs_linres_op.FH A D18-May-202047.6 KiB1,079728

qs_linres_polar_utils.FH A D18-May-202026.6 KiB586432

qs_linres_types.FH A D18-May-202070.6 KiB1,5281,002

qs_loc_dipole.FH A D18-May-202010.1 KiB206156

qs_loc_methods.FH A D18-May-202052.9 KiB1,107798

qs_loc_molecules.FH A D18-May-20208 KiB191133

qs_loc_states.FH A D18-May-202010.2 KiB198141

qs_loc_types.FH A D18-May-202023.2 KiB526294

qs_loc_utils.FH A D18-May-202082.7 KiB1,8201,347

qs_local_properties.FH A D18-May-202018.4 KiB402300

qs_local_rho_types.FH A D18-May-202011.6 KiB302178

qs_localization_methods.FH A D18-May-202090.2 KiB2,0761,555

qs_matrix_pools.FH A D18-May-202024.7 KiB551408

qs_mixing_utils.FH A D18-May-202037.5 KiB806680

qs_mo_io.FH A D18-May-202059.8 KiB1,3731,015

qs_mo_methods.FH A D18-May-202044.3 KiB985628

qs_mo_occupation.FH A D18-May-202028.9 KiB690501

qs_mo_types.FH A D18-May-202020.5 KiB495274

qs_mom_methods.FH A D18-May-202024.6 KiB536331

qs_mom_types.FH A D18-May-20207.9 KiB163116

qs_moments.FH A D18-May-2020106.1 KiB2,5081,970

qs_neighbor_list_types.FH A D18-May-202043 KiB1,159655

qs_neighbor_lists.FH A D18-May-202083.3 KiB1,8061,402

qs_nl_hash_table_types.FH A D18-May-202019.7 KiB438233

qs_o3c_methods.FH A D18-May-202020.5 KiB482341

qs_o3c_types.FH A D18-May-202026.1 KiB681429

qs_oce_methods.FH A D18-May-202032.9 KiB748514

qs_oce_types.FH A D18-May-20204.1 KiB11649

qs_operators_ao.FH A D18-May-202065.3 KiB1,6171,100

qs_ot.FH A D18-May-202067.4 KiB1,586996

qs_ot_eigensolver.FH A D18-May-202014.3 KiB317206

qs_ot_minimizer.FH A D18-May-202066.2 KiB1,5811,235

qs_ot_scf.FH A D18-May-202020.8 KiB455286

qs_ot_types.FH A D18-May-202048.5 KiB1,003790

qs_outer_scf.FH A D18-May-202035.2 KiB683502

qs_overlap.FH A D18-May-202050.3 KiB1,165761

qs_p_env_methods.FH A D18-May-202041.9 KiB965667

qs_p_env_types.FH A D18-May-20208.2 KiB183101

qs_pdos.FH A D18-May-202045.9 KiB983818

qs_period_efield_types.FH A D18-May-20204.5 KiB11961

qs_resp.FH A D18-May-202087.1 KiB1,8371,429

qs_rho0_ggrid.FH A D18-May-202030.3 KiB708520

qs_rho0_methods.FH A D18-May-202024.5 KiB574401

qs_rho0_types.FH A D18-May-202021.8 KiB584353

qs_rho_atom_methods.FH A D18-May-202056 KiB1,236879

qs_rho_atom_types.FH A D18-May-202011.9 KiB296212

qs_rho_methods.FH A D18-May-202034.4 KiB760601

qs_rho_types.FH A D18-May-202017.4 KiB377210

qs_sccs.FH A D18-May-202057.5 KiB1,293925

qs_scf.FH A D18-May-202083.7 KiB1,6601,241

qs_scf_block_davidson.FH A D18-May-202042.2 KiB971714

qs_scf_csr_write.FH A D18-May-202016.8 KiB333231

qs_scf_diagonalization.FH A D18-May-202075.1 KiB1,6741,215

qs_scf_initialization.FH A D18-May-202060.8 KiB1,210927

qs_scf_lanczos.FH A D18-May-202037.8 KiB890647

qs_scf_loop_utils.FH A D18-May-202034.3 KiB747502

qs_scf_methods.FH A D18-May-202037.2 KiB851506

qs_scf_output.FH A D18-May-202048 KiB919743

qs_scf_post_gpw.FH A D18-May-2020164.9 KiB3,2542,553

qs_scf_post_scf.FH A D18-May-20204.1 KiB8957

qs_scf_post_se.FH A D18-May-202036.3 KiB734565

qs_scf_post_tb.FH A D18-May-202081.2 KiB1,6761,391

qs_scf_types.FH A D18-May-202025.1 KiB592423

qs_scf_wfn_mix.FH A D18-May-20209.7 KiB199129

qs_spin_orbit.FH A D18-May-202012.8 KiB309216

qs_subsys_methods.FH A D18-May-202013.4 KiB276177

qs_subsys_types.FH A D18-May-202014.2 KiB296195

qs_tddfpt2_densities.FH A D18-May-20208.9 KiB16589

qs_tddfpt2_eigensolver.FH A D18-May-202042.7 KiB855557

qs_tddfpt2_fhxc.FH A D18-May-202014.5 KiB278180

qs_tddfpt2_methods.FH A D18-May-202025 KiB497367

qs_tddfpt2_operators.FH A D18-May-202030.4 KiB594397

qs_tddfpt2_properties.FH A D18-May-202065 KiB1,326969

qs_tddfpt2_restart.FH A D18-May-202013.5 KiB290190

qs_tddfpt2_stda_types.FH A D18-May-202013.1 KiB280174

qs_tddfpt2_stda_utils.FH A D18-May-202030.6 KiB649472

qs_tddfpt2_subgroups.FH A D18-May-202038 KiB751471

qs_tddfpt2_types.FH A D18-May-202041.3 KiB825551

qs_tddfpt2_utils.FH A D18-May-202046.7 KiB961695

qs_tddfpt_eigensolver.FH A D18-May-202025.7 KiB635432

qs_tddfpt_module.FH A D18-May-20208.4 KiB187122

qs_tddfpt_types.FH A D18-May-20205.6 KiB13685

qs_tddfpt_utils.FH A D18-May-202019.1 KiB466298

qs_tensors.FH A D18-May-202077 KiB1,7931,329

qs_tensors_types.FH A D18-May-202025.7 KiB595392

qs_update_s_mstruct.FH A D18-May-202013.8 KiB317209

qs_vxc.FH A D18-May-202033.5 KiB745535

qs_vxc_atom.FH A D18-May-202074.6 KiB1,6311,210

qs_wannier90.FH A D18-May-202028.6 KiB633523

qs_wf_history_methods.FH A D18-May-202053.8 KiB1,153910

qs_wf_history_types.FH A D18-May-202010.4 KiB241113

rel_control_types.FH A D18-May-20207.7 KiB18479

replica_methods.FH A D18-May-202023.8 KiB498377

replica_types.FH A D18-May-202017.9 KiB388230

response_solver.FH A D18-May-202062 KiB1,2641,044

restraint.FH A D18-May-202029 KiB619416

ri_environment_methods.FH A D18-May-202027.7 KiB645454

rmsd.FH A D18-May-202010.9 KiB291219

rpa_axk.FH A D18-May-202024.3 KiB542338

rpa_communication.FH A D18-May-202047.9 KiB1,060761

rpa_gw.FH A D18-May-2020228 KiB5,2673,366

rpa_gw_ic.FH A D18-May-202040.8 KiB1,038656

rpa_gw_im_time_util.FH A D18-May-202028.3 KiB657432

rpa_gw_kpoints.FH A D18-May-202052.1 KiB1,275801

rpa_im_time.FH A D18-May-202067.1 KiB1,517996

rpa_kpoints.FH A D18-May-202037 KiB874517

rpa_main.FH A D18-May-2020105.6 KiB2,0831,515

rpa_rse.FH A D18-May-202038.7 KiB888611

rpa_util.FH A D18-May-202054.9 KiB1,227763

rt_propagation_forces.FH A D18-May-202023.5 KiB493325

rt_propagation_types.FH A D18-May-202023.1 KiB517391

rtp_admm_methods.FH A D18-May-202025 KiB532350

s_square_methods.FH A D18-May-20209.8 KiB204132

sap_kind_types.FH A D18-May-202027.2 KiB627452

scf_control_types.FH A D18-May-202037.1 KiB792534

scine_utils.FH A D18-May-20208 KiB172132

se_core_core.FH A D18-May-202013.4 KiB265199

se_core_matrix.FH A D18-May-202074.2 KiB1,3931,180

se_fock_matrix.FH A D18-May-202012.8 KiB264183

se_fock_matrix_coulomb.FH A D18-May-202080.2 KiB1,5301,211

se_fock_matrix_dbg.FH A D18-May-20203.5 KiB8242

se_fock_matrix_exchange.FH A D18-May-202014.5 KiB279216

se_fock_matrix_integrals.FH A D18-May-202045.2 KiB1,144732

semi_empirical_expns3_methods.FH A D18-May-20209.4 KiB218147

semi_empirical_expns3_types.FH A D18-May-20203.5 KiB8134

semi_empirical_int3_utils.FH A D18-May-20207.6 KiB21298

semi_empirical_int_ana.FH A D18-May-202085 KiB1,7981,254

semi_empirical_int_args.hH A D18-May-202057 21

semi_empirical_int_arrays.FH A D18-May-202074.8 KiB1,8181,090

semi_empirical_int_debug.FH A D18-May-202026.7 KiB700461

semi_empirical_int_debug.hH A D18-May-20209.1 KiB207197

semi_empirical_int_gks.FH A D18-May-202049.6 KiB1,3311,035

semi_empirical_int_num.FH A D18-May-202053.2 KiB1,169756

semi_empirical_int_utils.FH A D18-May-2020117.9 KiB2,4521,840

semi_empirical_integrals.FH A D18-May-202030.9 KiB624429

semi_empirical_mpole_methods.FH A D18-May-202012.2 KiB300193

semi_empirical_mpole_types.FH A D18-May-20209 KiB215121

semi_empirical_par_utils.FH A D18-May-202050.7 KiB1,092726

semi_empirical_parameters.FH A D18-May-2020342.3 KiB9,3748,659

semi_empirical_store_int_types.FH A D18-May-202012.6 KiB267172

semi_empirical_types.FH A D18-May-202045.2 KiB944688

semi_empirical_utils.FH A D18-May-202015.5 KiB365260

shg_integrals_test.FH A D18-May-202045.2 KiB895690

simpar_types.FH A D18-May-20204.9 KiB12977

sirius_interface.FH A D18-May-202038.6 KiB842609

sockets.cH A D18-May-20205.1 KiB17169

spglib_f08.FH A D18-May-202014.7 KiB340199

splines_methods.FH A D18-May-202010.3 KiB247124

splines_types.FH A D18-May-202017.7 KiB432263

spme.FH A D18-May-202040.9 KiB957658

statistical_methods.FH A D18-May-202018.1 KiB489341

stm_images.FH A D18-May-202019.3 KiB405297

subcell_types.FH A D18-May-20208.1 KiB215123

submatrix_dissection.FH A D18-May-202042.2 KiB885626

submatrix_types.FH A D18-May-202011 KiB278167

surface_dipole.FH A D18-May-202011.8 KiB283206

taper_types.FH A D18-May-20204.6 KiB11955

task_list_methods.FH A D18-May-2020111.3 KiB2,6681,684

task_list_types.FH A D18-May-20208.4 KiB207127

topology.FH A D18-May-202032.1 KiB670451

topology_amber.FH A D18-May-202081 KiB1,7681,246

topology_cif.FH A D18-May-202018.6 KiB386282

topology_connectivity_util.FH A D18-May-202063 KiB1,3851,205

topology_constraint_util.FH A D18-May-202071.3 KiB1,4061,138

topology_coordinate_util.FH A D18-May-202038 KiB806646

topology_cp2k.FH A D18-May-202010.9 KiB238185

topology_generate_util.FH A D18-May-202093.1 KiB2,0761,690

topology_gromos.FH A D18-May-202039.1 KiB789712

topology_input.FH A D18-May-202034.9 KiB616515

topology_multiple_unit_cell.FH A D18-May-20207.5 KiB142102

topology_pdb.FH A D18-May-202019 KiB399290

topology_psf.FH A D18-May-202041.3 KiB902754

topology_types.FH A D18-May-202036.3 KiB805661

topology_util.FH A D18-May-202055.9 KiB1,281942

topology_xtl.FH A D18-May-202016.1 KiB334242

topology_xyz.FH A D18-May-20208.2 KiB180134

transport.FH A D18-May-202039.7 KiB791542

transport_env_types.FH A D18-May-202011.4 KiB258171

uff_vdw_radii_table.FH A D18-May-202010.8 KiB178142

virial_methods.FH A D18-May-20209.3 KiB207121

wannier90.FH A D18-May-202046 KiB960658

wannier_states.FH A D18-May-20208 KiB173114

wannier_states_types.FH A D18-May-20201.1 KiB258

xas_control.FH A D18-May-202014.3 KiB349237

xas_env_types.FH A D18-May-202021 KiB449289

xas_methods.FH A D18-May-202081.7 KiB1,7511,314

xas_restart.FH A D18-May-202023.4 KiB520354

xas_tdp_atom.FH A D18-May-2020153.4 KiB3,4582,237

xas_tdp_integrals.FH A D18-May-202071.6 KiB1,5311,020

xas_tdp_kernel.FH A D18-May-202066.5 KiB1,428790

xas_tdp_methods.FH A D18-May-2020138.9 KiB3,0322,106

xas_tdp_types.FH A D18-May-202062.4 KiB1,356910

xas_tdp_utils.FH A D18-May-2020140.8 KiB2,8891,806

xas_tp_scf.FH A D18-May-202034.8 KiB739555

xc_adiabatic_methods.FH A D18-May-20205.7 KiB13273

xc_adiabatic_utils.FH A D18-May-20209.1 KiB187125

xc_pot_saop.FH A D18-May-202060.7 KiB1,293981

xc_write_output.FH A D18-May-20205.3 KiB10571

xray_diffraction.FH A D18-May-202037.8 KiB976730

xtb_coulomb.FH A D18-May-202044.6 KiB977784

xtb_ehess.FH A D18-May-202016.3 KiB352272

xtb_matrices.FH A D18-May-202063.6 KiB1,3831,155

xtb_parameters.FH A D18-May-202028.5 KiB636480

xtb_types.FH A D18-May-202017.4 KiB382230

README.md

1# CP2K Source Code
2
3## Code Structure
4
5For information on CP2K's code structure, please refer to the [code structure documentation](https://www.cp2k.org/dev:codestructure).
6