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Name Date Size #Lines LOC

..23-Dec-2019-

aobasis/H23-Dec-2019-22,57315,070

arnoldi/H23-Dec-2019-3,1441,774

base/H23-Dec-2019-1,138579

common/H23-Dec-2019-36,87524,808

dbcsrx/H23-Dec-2019-1,165697

emd/H23-Dec-2019-3,5822,602

eri_mme/H23-Dec-2019-4,6362,844

fm/H23-Dec-2019-12,2007,234

grid/H23-Dec-2019-41,26735,859

hfxbase/H23-Dec-2019-182,819160,736

input/H23-Dec-2019-8,5235,870

metadyn_tools/H23-Dec-2019-1,7421,265

minimax/H23-Dec-2019-36,87733,200

motion/H23-Dec-2019-76,15152,262

mpiwrap/H23-Dec-2019-8,7074,958

pw/H23-Dec-2019-43,90130,103

pw_env/H23-Dec-2019-982630

shg_int/H23-Dec-2019-4,0272,757

start/H23-Dec-2019-7,7685,748

subsys/H23-Dec-2019-10,7187,455

swarm/H23-Dec-2019-4,5422,908

tmc/H23-Dec-2019-17,01211,328

xc/H23-Dec-2019-49,83639,798

PACKAGEH A D23-Dec-2019336 86

README.mdH A D23-Dec-2019173 63

admm_dm_methods.FH A D23-Dec-201925 KiB565377

admm_dm_types.FH A D23-Dec-20194.9 KiB12168

admm_methods.FH A D23-Dec-2019102.7 KiB2,1761,416

admm_types.FH A D23-Dec-201922.7 KiB427329

admm_utils.FH A D23-Dec-20197.7 KiB177104

al_system_types.FH A D23-Dec-20195.9 KiB14277

almo_scf.FH A D23-Dec-2019116.3 KiB2,3801,728

almo_scf_diis_types.FH A D23-Dec-201922.5 KiB569333

almo_scf_env_methods.FH A D23-Dec-201926.2 KiB486274

almo_scf_methods.FH A D23-Dec-2019143.3 KiB3,4162,000

almo_scf_optimizer.FH A D23-Dec-2019341.5 KiB7,6104,405

almo_scf_qs.FH A D23-Dec-201973 KiB1,611972

almo_scf_types.FH A D23-Dec-201925.1 KiB552304

atom.FH A D23-Dec-20196.3 KiB14691

atom_admm_methods.FH A D23-Dec-201925.5 KiB470391

atom_basis.FH A D23-Dec-201913.3 KiB281210

atom_electronic_structure.FH A D23-Dec-201933.3 KiB795595

atom_energy.FH A D23-Dec-201941.2 KiB908710

atom_fit.FH A D23-Dec-201992.9 KiB2,0921,735

atom_grb.FH A D23-Dec-201951.3 KiB1,254981

atom_kind_orbitals.FH A D23-Dec-201953 KiB1,3411,112

atom_operators.FH A D23-Dec-201951.5 KiB1,254997

atom_optimization.FH A D23-Dec-20199.6 KiB243157

atom_output.FH A D23-Dec-201942 KiB894692

atom_pseudo.FH A D23-Dec-201919.7 KiB414315

atom_sgp.FH A D23-Dec-201945.5 KiB1,184918

atom_types.FH A D23-Dec-2019118.4 KiB3,0962,588

atom_upf.FH A D23-Dec-201935.3 KiB886705

atom_utils.FH A D23-Dec-2019113.2 KiB2,8422,001

atom_xc.FH A D23-Dec-201959.6 KiB1,354971

atomic_charges.FH A D23-Dec-20199.6 KiB229146

atoms_input.FH A D23-Dec-201924.1 KiB474376

auto_basis.FH A D23-Dec-201932 KiB858677

basis_set_output.FH A D23-Dec-20198.4 KiB182125

beta_gamma_psi.FH A D23-Dec-201977.4 KiB2,3411,412

block_p_types.FH A D23-Dec-20191.1 KiB257

bse.FH A D23-Dec-201925.5 KiB651346

bsse.FH A D23-Dec-201929.4 KiB648431

call_collocate.f90H A D23-Dec-20192.3 KiB3635

call_collocate_omp.f90H A D23-Dec-20192.4 KiB3635

call_integrate.f90H A D23-Dec-20192.3 KiB3635

cell_methods.FH A D23-Dec-201925.6 KiB558381

colloc_int_kloop.fyppH A D23-Dec-201910.9 KiB308222

colvar_methods.FH A D23-Dec-2019274.9 KiB6,1814,884

colvar_utils.FH A D23-Dec-201936 KiB796586

commutator_rkinetic.FH A D23-Dec-201915.9 KiB354212

commutator_rpnl.FH A D23-Dec-201920.7 KiB402295

constraint.FH A D23-Dec-201943.2 KiB894628

constraint_3x3.FH A D23-Dec-201940.1 KiB872594

constraint_4x6.FH A D23-Dec-201958 KiB1,216921

constraint_clv.FH A D23-Dec-201944.9 KiB1,019584

constraint_fxd.FH A D23-Dec-201923.2 KiB553430

constraint_util.FH A D23-Dec-201928.7 KiB666459

constraint_vsite.FH A D23-Dec-201912 KiB265160

core_ae.FH A D23-Dec-201924.3 KiB508390

core_ppl.FH A D23-Dec-201934.8 KiB753546

core_ppnl.FH A D23-Dec-201927.5 KiB553408

cp2k_debug.FH A D23-Dec-201925.6 KiB493407

cp2k_info.FH A D23-Dec-201914.3 KiB377170

cp_control_types.FH A D23-Dec-201958 KiB1,230795

cp_control_utils.FH A D23-Dec-2019106.7 KiB2,0441,685

cp_dbcsr_cholesky.FH A D23-Dec-201914.9 KiB384243

cp_dbcsr_cp2k_link.FH A D23-Dec-201933.9 KiB719546

cp_dbcsr_diag.FH A D23-Dec-20199.4 KiB217111

cp_dbcsr_operations.FH A D23-Dec-201971.3 KiB1,556937

cp_dbcsr_output.FH A D23-Dec-201928.9 KiB717495

cp_ddapc.FH A D23-Dec-201928.2 KiB562423

cp_ddapc_forces.FH A D23-Dec-201926.9 KiB596436

cp_ddapc_methods.FH A D23-Dec-201940.9 KiB953707

cp_ddapc_types.FH A D23-Dec-201922.8 KiB477350

cp_ddapc_util.FH A D23-Dec-201942.7 KiB902695

cp_eri_mme_interface.FH A D23-Dec-201940.5 KiB863633

cp_external_control.FH A D23-Dec-201910.6 KiB230143

cp_gemm_interface.FH A D23-Dec-20196.7 KiB157101

cp_realspace_grid_cube.FH A D23-Dec-20196 KiB13668

cp_realspace_grid_init.FH A D23-Dec-20195 KiB10057

cp_subsys_methods.FH A D23-Dec-201921 KiB408267

cp_symmetry.FH A D23-Dec-20198.4 KiB189125

cryssym.FH A D23-Dec-201922.1 KiB579407

csvr_system_types.FH A D23-Dec-20197.8 KiB177106

csvr_system_utils.FH A D23-Dec-20196.7 KiB14145

ct_methods.FH A D23-Dec-201972 KiB1,7601,074

ct_types.FH A D23-Dec-201920.7 KiB458229

d3_poly.FH A D23-Dec-201981 KiB1,9721,423

debug_os_integrals.FH A D23-Dec-201925.7 KiB616440

dft_plus_u.FH A D23-Dec-201982.4 KiB2,0281,430

distribution_2d_types.FH A D23-Dec-201928.8 KiB586428

distribution_methods.FH A D23-Dec-201964.4 KiB1,405981

dkh_main.FH A D23-Dec-2019125.5 KiB2,8141,195

dm_ls_chebyshev.FH A D23-Dec-201919.1 KiB400277

dm_ls_scf.FH A D23-Dec-201956.7 KiB1,240855

dm_ls_scf_create.FH A D23-Dec-201922.9 KiB439326

dm_ls_scf_curvy.FH A D23-Dec-201939 KiB871556

dm_ls_scf_methods.FH A D23-Dec-201953.9 KiB1,240821

dm_ls_scf_qs.FH A D23-Dec-201934.8 KiB763512

dm_ls_scf_types.FH A D23-Dec-20198.6 KiB223154

domain_submatrix_methods.FH A D23-Dec-201963.4 KiB1,6881,058

domain_submatrix_types.FH A D23-Dec-20192.2 KiB5125

efield_tb_methods.FH A D23-Dec-201936.7 KiB810658

efield_utils.FH A D23-Dec-201911.8 KiB252180

eip_environment.FH A D23-Dec-201911.5 KiB255149

eip_environment_types.FH A D23-Dec-201924.2 KiB498293

eip_silicon.FH A D23-Dec-2019114.7 KiB3,0212,130

embed_environment.FH A D23-Dec-20197.7 KiB17199

embed_main.FH A D23-Dec-20199.2 KiB183134

embed_types.FH A D23-Dec-201919.4 KiB400278

environment.FH A D23-Dec-201959.4 KiB1,259892

et_coupling.FH A D23-Dec-201911.8 KiB271198

et_coupling_proj.FH A D23-Dec-201981.6 KiB2,0351,267

et_coupling_types.FH A D23-Dec-20195.6 KiB13967

ewald_environment_types.FH A D23-Dec-201926.6 KiB586405

ewald_methods_tb.FH A D23-Dec-201917.7 KiB413293

ewald_pw_methods.FH A D23-Dec-20198.5 KiB191129

ewald_pw_types.FH A D23-Dec-201919.1 KiB437304

ewald_spline_util.FH A D23-Dec-201919.4 KiB435302

ewalds.FH A D23-Dec-201922 KiB477334

ewalds_multipole.FH A D23-Dec-2019103.9 KiB2,1951,657

ewalds_multipole_sr.fyppH A D23-Dec-201966.9 KiB1,1741,102

exclusion_types.FH A D23-Dec-20192.9 KiB6935

extended_system_types.FH A D23-Dec-20197.6 KiB191122

external_potential_methods.FH A D23-Dec-20197.1 KiB143111

f77_interface.FH A D23-Dec-201968.9 KiB1,488969

farming_methods.FH A D23-Dec-201914.5 KiB320251

farming_types.FH A D23-Dec-20196 KiB13677

fermi_utils.FH A D23-Dec-201917.9 KiB471275

fist_efield_methods.FH A D23-Dec-201913.2 KiB307228

fist_efield_types.FH A D23-Dec-20193.5 KiB7736

fist_energy_types.FH A D23-Dec-20194.1 KiB11452

fist_environment.FH A D23-Dec-201916.7 KiB328232

fist_environment_types.FH A D23-Dec-201922.5 KiB490331

fist_force.FH A D23-Dec-201945.7 KiB919761

fist_intra_force.FH A D23-Dec-201931.1 KiB584473

fist_main.FH A D23-Dec-20194.8 KiB10851

fist_neighbor_list_control.FH A D23-Dec-201915.3 KiB314235

fist_neighbor_list_types.FH A D23-Dec-201917.4 KiB365251

fist_neighbor_lists.FH A D23-Dec-201940.6 KiB847646

fist_nonbond_env_types.FH A D23-Dec-201926.1 KiB517350

fist_nonbond_force.FH A D23-Dec-201954.8 KiB1,102801

fist_pol_scf.FH A D23-Dec-201937.4 KiB726485

force_env_methods.FH A D23-Dec-2019108.8 KiB2,1211,593

force_env_types.FH A D23-Dec-201932.2 KiB709470

force_env_utils.FH A D23-Dec-201925.8 KiB563432

force_field_types.FH A D23-Dec-201937.5 KiB935755

force_fields.FH A D23-Dec-201916.4 KiB314201

force_fields_all.FH A D23-Dec-2019174.8 KiB3,4862,857

force_fields_ext.FH A D23-Dec-201941.1 KiB815637

force_fields_input.FH A D23-Dec-2019104 KiB2,0231,521

force_fields_util.FH A D23-Dec-201971.8 KiB1,3751,095

fp_methods.FH A D23-Dec-201910.1 KiB237153

fp_types.FH A D23-Dec-201910.2 KiB231143

free_energy_types.FH A D23-Dec-20198.9 KiB193135

gauss_colloc.FH A D23-Dec-201935.5 KiB904675

generic_os_integrals.FH A D23-Dec-201942.3 KiB966698

gle_system_types.FH A D23-Dec-20199.7 KiB263191

global_types.FH A D23-Dec-20196.8 KiB15781

graphcon.FH A D23-Dec-201923.7 KiB576354

group_dist_types.FH A D23-Dec-201911.7 KiB313166

grrm_utils.FH A D23-Dec-20194.7 KiB12080

hartree_local_methods.FH A D23-Dec-201930.9 KiB741489

hartree_local_types.FH A D23-Dec-20197.6 KiB211100

header.FH A D23-Dec-201924.4 KiB445314

hfx_admm_utils.FH A D23-Dec-201948.2 KiB1,036775

hfx_communication.FH A D23-Dec-201925.3 KiB605418

hfx_compression_methods.FH A D23-Dec-201923.3 KiB461267

hfx_derivatives.FH A D23-Dec-2019117 KiB2,3561,679

hfx_energy_potential.FH A D23-Dec-2019139.8 KiB2,9702,136

hfx_get_pmax_val.f90H A D23-Dec-20198.5 KiB229203

hfx_helpers.FH A D23-Dec-20193.4 KiB8841

hfx_libint_interface.FH A D23-Dec-201976.2 KiB1,9521,603

hfx_load_balance_methods.FH A D23-Dec-2019117.2 KiB2,5621,728

hfx_pair_list_methods.FH A D23-Dec-201932.5 KiB721534

hfx_screening_methods.FH A D23-Dec-201939.1 KiB902617

hfx_types.FH A D23-Dec-2019101 KiB2,0791,468

hirshfeld_methods.FH A D23-Dec-201928.9 KiB636478

hirshfeld_types.FH A D23-Dec-20199.5 KiB225137

input_constants.FH A D23-Dec-201962 KiB1,132845

input_cp2k_almo.FH A D23-Dec-201953.9 KiB976427

input_cp2k_atom.FH A D23-Dec-201967 KiB1,262969

input_cp2k_atprop.FH A D23-Dec-20193.4 KiB7743

input_cp2k_binary_restarts.FH A D23-Dec-201937.9 KiB893674

input_cp2k_check.FH A D23-Dec-201965.2 KiB1,132911

input_cp2k_colvar.FH A D23-Dec-2019123.9 KiB2,3881,770

input_cp2k_constraints.FH A D23-Dec-201937.7 KiB731528

input_cp2k_dft.FH A D23-Dec-2019538.6 KiB9,6087,866

input_cp2k_distribution.FH A D23-Dec-20196.3 KiB11878

input_cp2k_eip.FH A D23-Dec-20197.4 KiB14889

input_cp2k_embed.FH A D23-Dec-201911.4 KiB211148

input_cp2k_field.FH A D23-Dec-201916.3 KiB344239

input_cp2k_force_eval.FH A D23-Dec-201919.7 KiB380283

input_cp2k_free_energy.FH A D23-Dec-201951 KiB926718

input_cp2k_global.FH A D23-Dec-201942.3 KiB696582

input_cp2k_hfx.FH A D23-Dec-201923.5 KiB482363

input_cp2k_kpoints.FH A D23-Dec-20197.7 KiB154101

input_cp2k_ls.FH A D23-Dec-201935.5 KiB637504

input_cp2k_mixed.FH A D23-Dec-201939.6 KiB647518

input_cp2k_mm.FH A D23-Dec-2019133.3 KiB2,5461,941

input_cp2k_motion_print.FH A D23-Dec-201919.8 KiB329257

input_cp2k_mp2.FH A D23-Dec-201989 KiB1,7011,371

input_cp2k_neb.FH A D23-Dec-201927.2 KiB504402

input_cp2k_negf.FH A D23-Dec-201920.4 KiB400286

input_cp2k_poisson.FH A D23-Dec-201972.8 KiB1,3221,016

input_cp2k_properties_dft.FH A D23-Dec-201971.5 KiB1,3551,026

input_cp2k_pwdft.FH A D23-Dec-201913.8 KiB290210

input_cp2k_qmmm.FH A D23-Dec-201977.7 KiB1,3851,076

input_cp2k_read.FH A D23-Dec-20193.8 KiB7943

input_cp2k_resp.FH A D23-Dec-201931.2 KiB552425

input_cp2k_restarts_util.FH A D23-Dec-20194.8 KiB12082

input_cp2k_rsgrid.FH A D23-Dec-20195.9 KiB11376

input_cp2k_subsys.FH A D23-Dec-2019131.9 KiB2,4361,902

input_cp2k_tb.FH A D23-Dec-201922.9 KiB441327

input_cp2k_thermostats.FH A D23-Dec-201943.4 KiB851586

input_cp2k_transport.FH A D23-Dec-201928.4 KiB527403

input_cp2k_xc.FH A D23-Dec-201979 KiB1,3871,213

input_optimize_basis.FH A D23-Dec-201922.4 KiB417308

input_optimize_input.FH A D23-Dec-201913.8 KiB270201

input_restart_force_eval.FH A D23-Dec-201939.8 KiB886675

input_restart_rng.FH A D23-Dec-20194.2 KiB11772

integration_grid_types.FH A D23-Dec-20197.5 KiB180104

ipi_driver.FH A D23-Dec-201919.8 KiB510322

iterate_matrix.FH A D23-Dec-201973.9 KiB1,7941,133

kg_correction.FH A D23-Dec-201926.8 KiB601427

kg_energy_corrections.FH A D23-Dec-201943.7 KiB959668

kg_environment.FH A D23-Dec-201938.3 KiB883617

kg_environment_types.FH A D23-Dec-201911.3 KiB240156

kg_tnadd_mat.FH A D23-Dec-201923 KiB505362

kg_vertex_coloring_methods.FH A D23-Dec-201925.3 KiB711433

kpoint_coulomb_2c.FH A D23-Dec-201924.7 KiB665377

kpoint_io.FH A D23-Dec-201920.1 KiB495338

kpoint_methods.FH A D23-Dec-201957.6 KiB1,3671,044

kpoint_transitional.FH A D23-Dec-20195.2 KiB13063

kpoint_types.FH A D23-Dec-201938.1 KiB844532

libint_2c_3c.FH A D23-Dec-201923.7 KiB555332

libint_wrapper.FH A D23-Dec-201920.3 KiB612369

library_tests.FH A D23-Dec-201969 KiB1,6231,211

linesearch.FH A D23-Dec-201931 KiB741537

localization_tb.FH A D23-Dec-201911.5 KiB231176

lri_compression.FH A D23-Dec-20196.1 KiB180119

lri_environment_init.FH A D23-Dec-201927.7 KiB605462

lri_environment_methods.FH A D23-Dec-201960.6 KiB1,340946

lri_environment_types.FH A D23-Dec-201964.1 KiB1,4791,057

lri_forces.FH A D23-Dec-201938.5 KiB856573

lri_integrals.FH A D23-Dec-201932.5 KiB704464

lri_ks_methods.FH A D23-Dec-201915.8 KiB369264

lri_optimize_ri_basis.FH A D23-Dec-201946.9 KiB1,061721

lri_optimize_ri_basis_types.FH A D23-Dec-201910.4 KiB247157

ls_matrix_exp.FH A D23-Dec-201921.3 KiB518332

manybody_eam.FH A D23-Dec-201911.4 KiB271188

manybody_potential.FH A D23-Dec-201933.7 KiB663553

manybody_quip.FH A D23-Dec-20199.1 KiB227164

manybody_siepmann.FH A D23-Dec-201940.5 KiB895600

manybody_tersoff.FH A D23-Dec-201937.3 KiB849531

mao_basis.FH A D23-Dec-201912.6 KiB295214

mao_methods.FH A D23-Dec-201935.8 KiB806583

mao_optimizer.FH A D23-Dec-201910.1 KiB203152

mao_types.FH A D23-Dec-20192.6 KiB6923

mao_wfn_analysis.FH A D23-Dec-201943.6 KiB881743

matrix_exp.FH A D23-Dec-201941.9 KiB980732

mdctrl_types.FH A D23-Dec-20191.7 KiB4017

metadynamics.FH A D23-Dec-201947.4 KiB1,072781

metadynamics_types.FH A D23-Dec-201916 KiB357239

metadynamics_utils.FH A D23-Dec-201949.2 KiB969757

minbas_methods.FH A D23-Dec-201917.3 KiB376289

minbas_wfn_analysis.FH A D23-Dec-201930 KiB584471

mixed_cdft_methods.FH A D23-Dec-2019238.7 KiB4,2553,769

mixed_cdft_types.FH A D23-Dec-201935 KiB660414

mixed_cdft_utils.FH A D23-Dec-2019108.8 KiB1,9961,679

mixed_energy_types.FH A D23-Dec-20193.7 KiB9744

mixed_environment.FH A D23-Dec-20198 KiB179104

mixed_environment_types.FH A D23-Dec-201919.5 KiB413287

mixed_environment_utils.FH A D23-Dec-201912.1 KiB242168

mixed_main.FH A D23-Dec-20199.2 KiB182133

mm_collocate_potential.FH A D23-Dec-201912.8 KiB285204

mm_mapping_library.FH A D23-Dec-20198.3 KiB165100

mod.headerH A D23-Dec-2019656 1513

mode_selective.FH A D23-Dec-201957.7 KiB1,3581,086

mol_force.FH A D23-Dec-201928.4 KiB706378

molden_utils.FH A D23-Dec-201923.2 KiB491338

molecular_dipoles.FH A D23-Dec-201912.4 KiB242187

molecular_moments.FH A D23-Dec-201913.9 KiB279225

molecular_states.FH A D23-Dec-201917.2 KiB374272

molsym.FH A D23-Dec-201969.5 KiB1,8001,041

moments_utils.FH A D23-Dec-20198.9 KiB197153

motion_utils.FH A D23-Dec-201930 KiB635482

mp2.FH A D23-Dec-201988.8 KiB2,0581,474

mp2_cphf.FH A D23-Dec-201987.1 KiB1,8321,424

mp2_direct_method.FH A D23-Dec-201965 KiB1,4681,039

mp2_eri.FH A D23-Dec-201968.3 KiB1,5211,115

mp2_eri_gpw.FH A D23-Dec-201926 KiB559361

mp2_gpw.FH A D23-Dec-2019133 KiB2,9011,963

mp2_gpw_method.FH A D23-Dec-201939.9 KiB884610

mp2_integrals.FH A D23-Dec-2019169.1 KiB3,5102,347

mp2_laplace.FH A D23-Dec-20195.5 KiB14576

mp2_optimize_ri_basis.FH A D23-Dec-201975 KiB1,7881,293

mp2_ri_2c.FH A D23-Dec-201966.6 KiB1,5921,000

mp2_ri_gpw.FH A D23-Dec-2019149.7 KiB3,0372,181

mp2_ri_grad.FH A D23-Dec-2019100.9 KiB2,1211,586

mp2_ri_grad_util.FH A D23-Dec-201971.9 KiB1,6191,178

mp2_ri_libint.FH A D23-Dec-201960.2 KiB1,351973

mp2_setup.FH A D23-Dec-201926.4 KiB456382

mp2_types.FH A D23-Dec-201914.3 KiB358283

mp2_weights.FH A D23-Dec-201964.3 KiB1,573931

mscfg_methods.FH A D23-Dec-201924.3 KiB509295

mscfg_types.FH A D23-Dec-201914 KiB340174

mulliken.FH A D23-Dec-201937.7 KiB915529

negf_alloc_types.FH A D23-Dec-20192.7 KiB5518

negf_atom_map.FH A D23-Dec-201911.4 KiB239136

negf_control_types.FH A D23-Dec-201930.5 KiB618430

negf_env_types.FH A D23-Dec-201969.2 KiB1,364953

negf_green_cache.FH A D23-Dec-20196.6 KiB15786

negf_green_methods.FH A D23-Dec-201917.1 KiB346172

negf_integr_cc.FH A D23-Dec-201923.7 KiB529320

negf_integr_simpson.FH A D23-Dec-201930.3 KiB612373

negf_integr_utils.FH A D23-Dec-201912.2 KiB301139

negf_integr_utils.fyppH A D23-Dec-2019550 100

negf_matrix_utils.FH A D23-Dec-201936.3 KiB805552

negf_methods.FH A D23-Dec-2019151 KiB3,0292,265

negf_subgroup_types.FH A D23-Dec-20197.8 KiB15673

negf_vectors.FH A D23-Dec-20197 KiB14771

optbas_fenv_manipulation.FH A D23-Dec-201922.6 KiB454343

optbas_opt_utils.FH A D23-Dec-20196.1 KiB13485

optimize_basis.FH A D23-Dec-201929 KiB623418

optimize_basis_types.FH A D23-Dec-201910.9 KiB220151

optimize_basis_utils.FH A D23-Dec-201957.1 KiB1,228864

optimize_dmfet_potential.FH A D23-Dec-201913.5 KiB318193

optimize_embedding_potential.FH A D23-Dec-2019164.3 KiB3,7692,493

optimize_input.FH A D23-Dec-201933.4 KiB687508

outer_scf_control_types.FH A D23-Dec-20197.1 KiB15176

pair_potential.FH A D23-Dec-201948.4 KiB1,089862

pair_potential_coulomb.FH A D23-Dec-20193 KiB7944

pair_potential_types.FH A D23-Dec-201994.9 KiB2,1471,478

pair_potential_util.FH A D23-Dec-201915.3 KiB310213

pao_input.FH A D23-Dec-201931.4 KiB575438

pao_io.FH A D23-Dec-201932.3 KiB710497

pao_linpot_full.FH A D23-Dec-20193.1 KiB7839

pao_linpot_rotinv.FH A D23-Dec-201922.7 KiB506364

pao_main.FH A D23-Dec-201915.8 KiB387249

pao_methods.FH A D23-Dec-201956.9 KiB1,241807

pao_ml.FH A D23-Dec-201931.8 KiB725473

pao_ml_descriptor.FH A D23-Dec-201918.2 KiB408277

pao_ml_gaussprocess.FH A D23-Dec-20198.6 KiB207111

pao_ml_neuralnet.FH A D23-Dec-201913.8 KiB337215

pao_optimizer.FH A D23-Dec-201915 KiB345193

pao_param.FH A D23-Dec-201915.3 KiB354219

pao_param_exp.FH A D23-Dec-201917.2 KiB404241

pao_param_fock.FH A D23-Dec-20196.9 KiB181110

pao_param_gth.FH A D23-Dec-201921.5 KiB486333

pao_param_linpot.FH A D23-Dec-201927.7 KiB616412

pao_potentials.FH A D23-Dec-201914.2 KiB330213

pao_types.FH A D23-Dec-201913.2 KiB240110

particle_methods.FH A D23-Dec-201944.1 KiB971749

paw_proj_set_types.FH A D23-Dec-201936 KiB879667

pexsi_interface.FH A D23-Dec-201921.7 KiB496290

pexsi_methods.FH A D23-Dec-201931.1 KiB633406

pexsi_types.FH A D23-Dec-201915.4 KiB322178

pilaenv_hack.FH A D23-Dec-20191.4 KiB323

pme.FH A D23-Dec-201933.4 KiB748569

pme_tools.FH A D23-Dec-20196 KiB16192

population_analyses.FH A D23-Dec-201925.1 KiB583440

preconditioner.FH A D23-Dec-201919.8 KiB412267

preconditioner_apply.FH A D23-Dec-201913.9 KiB315184

preconditioner_makes.FH A D23-Dec-201939.8 KiB807531

preconditioner_solvers.FH A D23-Dec-201917.4 KiB383218

preconditioner_types.FH A D23-Dec-20197.2 KiB168104

prep.f90H A D23-Dec-20193.3 KiB9775

pw_env_methods.FH A D23-Dec-201951.4 KiB1,063796

pw_poisson_read_input.FH A D23-Dec-201934.2 KiB577440

pwdft_environment.FH A D23-Dec-201912.5 KiB275178

pwdft_environment_types.FH A D23-Dec-201914.3 KiB337174

qmmm_create.FH A D23-Dec-201922.3 KiB438334

qmmm_elpot.FH A D23-Dec-201911.6 KiB267198

qmmm_ff_fist.FH A D23-Dec-20195 KiB13283

qmmm_force.FH A D23-Dec-201912.1 KiB247174

qmmm_gaussian_data.FH A D23-Dec-201930.9 KiB439379

qmmm_gaussian_init.FH A D23-Dec-20199.4 KiB207150

qmmm_gaussian_input.FH A D23-Dec-201963.4 KiB1,0921,006

qmmm_gaussian_types.FH A D23-Dec-20192.1 KiB4914

qmmm_gpw_energy.FH A D23-Dec-201943.2 KiB846675

qmmm_gpw_forces.FH A D23-Dec-201988.5 KiB1,8411,419

qmmm_image_charge.FH A D23-Dec-201955.7 KiB1,290857

qmmm_init.FH A D23-Dec-201980.4 KiB1,6431,207

qmmm_links_methods.FH A D23-Dec-20199 KiB198121

qmmm_per_elpot.FH A D23-Dec-201920.3 KiB419302

qmmm_pw_grid.FH A D23-Dec-20199.4 KiB204144

qmmm_se_energy.FH A D23-Dec-201918.1 KiB351266

qmmm_se_forces.FH A D23-Dec-201917.7 KiB341252

qmmm_tb_coulomb.FH A D23-Dec-201912.6 KiB273210

qmmm_tb_methods.FH A D23-Dec-201968.5 KiB1,4151,123

qmmm_topology_util.FH A D23-Dec-20199.4 KiB189131

qmmm_types.FH A D23-Dec-20195.3 KiB12069

qmmm_types_low.FH A D23-Dec-201937.5 KiB822594

qmmm_util.FH A D23-Dec-201930.9 KiB650458

qmmmx_create.FH A D23-Dec-20194.6 KiB9651

qmmmx_force.FH A D23-Dec-201912.2 KiB239155

qmmmx_types.FH A D23-Dec-20194.3 KiB9949

qmmmx_update.FH A D23-Dec-201910.9 KiB205134

qmmmx_util.FH A D23-Dec-201943.2 KiB826582

qs_active_space_methods.FH A D23-Dec-201982.8 KiB1,8881,515

qs_active_space_types.FH A D23-Dec-201915.5 KiB385239

qs_band_structure.FH A D23-Dec-201920.1 KiB430354

qs_basis_gradient.FH A D23-Dec-201915.1 KiB332231

qs_block_davidson_types.FH A D23-Dec-20199 KiB207105

qs_cdft_methods.FH A D23-Dec-201969.4 KiB1,3531,138

qs_cdft_opt_types.FH A D23-Dec-201916.2 KiB350214

qs_cdft_scf_utils.FH A D23-Dec-201923.9 KiB472340

qs_cdft_types.FH A D23-Dec-201929.9 KiB567347

qs_cdft_utils.FH A D23-Dec-201968.4 KiB1,3201,096

qs_charge_mixing.FH A D23-Dec-201910.6 KiB265174

qs_charges_types.FH A D23-Dec-20195.6 KiB13263

qs_collocate_density.FH A D23-Dec-2019166.4 KiB3,9492,944

qs_commutators.FH A D23-Dec-20194.1 KiB9849

qs_condnum.FH A D23-Dec-201913.5 KiB311214

qs_core_energies.FH A D23-Dec-201916.7 KiB412256

qs_core_hamiltonian.FH A D23-Dec-201935.5 KiB718505

qs_density_mixing_types.FH A D23-Dec-201934.2 KiB754631

qs_dftb3_methods.FH A D23-Dec-201918.1 KiB387313

qs_dftb_coulomb.FH A D23-Dec-201934.8 KiB761616

qs_dftb_dispersion.FH A D23-Dec-201912.5 KiB270199

qs_dftb_matrices.FH A D23-Dec-201947.9 KiB1,055833

qs_dftb_parameters.FH A D23-Dec-201933.1 KiB763580

qs_dftb_types.FH A D23-Dec-20197.2 KiB169102

qs_dftb_utils.FH A D23-Dec-201938 KiB1,024612

qs_diis.FH A D23-Dec-201935.2 KiB908568

qs_diis_types.FH A D23-Dec-20197.7 KiB179101

qs_dispersion_nonloc.FH A D23-Dec-201968.3 KiB1,539923

qs_dispersion_pairpot.FH A D23-Dec-2019157.5 KiB3,1722,673

qs_dispersion_types.FH A D23-Dec-20198.7 KiB187128

qs_dispersion_utils.FH A D23-Dec-201917.8 KiB307248

qs_efield_berry.FH A D23-Dec-201959.8 KiB1,217999

qs_efield_local.FH A D23-Dec-201918.1 KiB400301

qs_elec_field.FH A D23-Dec-201913.3 KiB316222

qs_electric_field_gradient.FH A D23-Dec-201926.9 KiB592474

qs_elf_methods.FH A D23-Dec-201910.4 KiB218165

qs_energy.FH A D23-Dec-20194.8 KiB12463

qs_energy_init.FH A D23-Dec-201917.5 KiB368251

qs_energy_matrix_w.FH A D23-Dec-20197.9 KiB176120

qs_energy_types.FH A D23-Dec-20197.6 KiB204134

qs_energy_utils.FH A D23-Dec-201918.5 KiB426287

qs_energy_window.FH A D23-Dec-201918.8 KiB337270

qs_environment.FH A D23-Dec-201981.1 KiB1,6481,284

qs_environment_methods.FH A D23-Dec-201921.1 KiB443342

qs_environment_types.FH A D23-Dec-201973.8 KiB1,5471,112

qs_epr_hyp.FH A D23-Dec-201921.1 KiB391314

qs_external_density.FH A D23-Dec-20199.6 KiB214150

qs_external_potential.FH A D23-Dec-201923.5 KiB483339

qs_fb_atomic_halo_types.FH A D23-Dec-201948 KiB972568

qs_fb_atomic_matrix_methods.FH A D23-Dec-201938.4 KiB810491

qs_fb_buffer_types.FH A D23-Dec-201936 KiB845496

qs_fb_com_tasks_types.FH A D23-Dec-201963.7 KiB1,397803

qs_fb_distribution_methods.FH A D23-Dec-201938.1 KiB828542

qs_fb_env_methods.FH A D23-Dec-201960.2 KiB1,256858

qs_fb_env_types.FH A D23-Dec-201917.9 KiB387223

qs_fb_filter_matrix_methods.FH A D23-Dec-201967.8 KiB1,460978

qs_fb_hash_table_types.FH A D23-Dec-201922.2 KiB488265

qs_fb_input.FH A D23-Dec-20195.4 KiB11584

qs_fb_matrix_data_types.FH A D23-Dec-201919.2 KiB407239

qs_fb_trial_fns_types.FH A D23-Dec-201911.3 KiB253129

qs_fermi_contact.FH A D23-Dec-201912.2 KiB300207

qs_force.FH A D23-Dec-201933.7 KiB670524

qs_force_types.FH A D23-Dec-201916.4 KiB403273

qs_gamma2kp.FH A D23-Dec-20194.1 KiB9755

qs_gapw_densities.FH A D23-Dec-20197.7 KiB177129

qs_gcp_method.FH A D23-Dec-201913.3 KiB307248

qs_gcp_types.FH A D23-Dec-20194.1 KiB10155

qs_gcp_utils.FH A D23-Dec-201915.1 KiB252190

qs_grid_atom.FH A D23-Dec-201924.4 KiB681479

qs_gspace_mixing.FH A D23-Dec-201970.5 KiB1,5411,221

qs_harmonics_atom.FH A D23-Dec-201923 KiB597426

qs_hash_table_functions.FH A D23-Dec-20193.1 KiB7934

qs_initial_guess.FH A D23-Dec-201968.6 KiB1,4881,168

qs_integral_utils.FH A D23-Dec-20198.1 KiB18683

qs_integrate_potential.FH A D23-Dec-20192.2 KiB5217

qs_integrate_potential_low.FH A D23-Dec-201951.7 KiB1,073809

qs_integrate_potential_product.FH A D23-Dec-201936.1 KiB835598

qs_integrate_potential_single.FH A D23-Dec-201952.1 KiB1,133887

qs_interactions.FH A D23-Dec-201945 KiB939709

qs_kind_types.FH A D23-Dec-2019149.6 KiB3,2392,569

qs_kinetic.FH A D23-Dec-201917.4 KiB391275

qs_kpp1_env_methods.FH A D23-Dec-201935.4 KiB786568

qs_kpp1_env_types.FH A D23-Dec-20197.1 KiB15782

qs_ks_apply_restraints.FH A D23-Dec-201911.8 KiB243161

qs_ks_atom.FH A D23-Dec-201940.5 KiB815555

qs_ks_methods.FH A D23-Dec-201972.1 KiB1,5451,126

qs_ks_qmmm_methods.FH A D23-Dec-201910 KiB229141

qs_ks_qmmm_types.FH A D23-Dec-20195.7 KiB12866

qs_ks_types.FH A D23-Dec-201950 KiB990627

qs_ks_utils.FH A D23-Dec-201986.4 KiB1,8331,407

qs_linres_atom_current.FH A D23-Dec-201976.1 KiB1,5121,028

qs_linres_current.FH A D23-Dec-2019132.9 KiB2,8322,082

qs_linres_current_utils.FH A D23-Dec-201967.4 KiB1,4891,115

qs_linres_epr_nablavks.FH A D23-Dec-201944.5 KiB993696

qs_linres_epr_ownutils.FH A D23-Dec-201944 KiB899650

qs_linres_epr_utils.FH A D23-Dec-201913.1 KiB299201

qs_linres_issc_utils.FH A D23-Dec-201952.5 KiB1,169770

qs_linres_methods.FH A D23-Dec-201987 KiB2,0341,465

qs_linres_module.FH A D23-Dec-201925.1 KiB573374

qs_linres_nmr_epr_common_utils.FH A D23-Dec-20194.5 KiB10748

qs_linres_nmr_shift.FH A D23-Dec-201950.3 KiB1,022768

qs_linres_nmr_utils.FH A D23-Dec-201915.5 KiB345245

qs_linres_op.FH A D23-Dec-201947.6 KiB1,079728

qs_linres_polar_utils.FH A D23-Dec-201926.6 KiB586432

qs_linres_types.FH A D23-Dec-201970.6 KiB1,5281,002

qs_loc_dipole.FH A D23-Dec-201910.1 KiB206156

qs_loc_methods.FH A D23-Dec-201952.9 KiB1,098798

qs_loc_molecules.FH A D23-Dec-20198 KiB191133

qs_loc_states.FH A D23-Dec-201910.2 KiB198141

qs_loc_types.FH A D23-Dec-201923.2 KiB526294

qs_loc_utils.FH A D23-Dec-201981.5 KiB1,7921,335

qs_local_properties.FH A D23-Dec-201918.3 KiB397295

qs_local_rho_types.FH A D23-Dec-201911.6 KiB302178

qs_localization_methods.FH A D23-Dec-201990.2 KiB2,0761,555

qs_matrix_pools.FH A D23-Dec-201924.7 KiB551408

qs_mixing_utils.FH A D23-Dec-201937.5 KiB806680

qs_mo_io.FH A D23-Dec-201959.8 KiB1,3731,015

qs_mo_methods.FH A D23-Dec-201944.3 KiB985628

qs_mo_occupation.FH A D23-Dec-201923.7 KiB591425

qs_mo_types.FH A D23-Dec-201918.8 KiB451252

qs_modify_pab_block.FH A D23-Dec-201938.6 KiB864529

qs_mom_methods.FH A D23-Dec-201924.6 KiB536331

qs_mom_types.FH A D23-Dec-20197.9 KiB163116

qs_moments.FH A D23-Dec-201973.2 KiB1,7561,361

qs_neighbor_list_types.FH A D23-Dec-201941.8 KiB1,132636

qs_neighbor_lists.FH A D23-Dec-201981.8 KiB1,7721,374

qs_nl_hash_table_types.FH A D23-Dec-201919.7 KiB438233

qs_o3c_methods.FH A D23-Dec-201934.9 KiB803568

qs_o3c_types.FH A D23-Dec-201926.1 KiB681429

qs_oce_methods.FH A D23-Dec-201930.9 KiB710499

qs_oce_types.FH A D23-Dec-20194.1 KiB11649

qs_operators_ao.FH A D23-Dec-201965.3 KiB1,6171,100

qs_ot.FH A D23-Dec-201967.4 KiB1,586996

qs_ot_eigensolver.FH A D23-Dec-201914.3 KiB317206

qs_ot_minimizer.FH A D23-Dec-201966.2 KiB1,5811,235

qs_ot_scf.FH A D23-Dec-201920.8 KiB455286

qs_ot_types.FH A D23-Dec-201948.5 KiB1,003790

qs_outer_scf.FH A D23-Dec-201935.2 KiB683502

qs_overlap.FH A D23-Dec-201945.7 KiB1,043741

qs_p_env_methods.FH A D23-Dec-201941.1 KiB950654

qs_p_env_types.FH A D23-Dec-20198 KiB18098

qs_pdos.FH A D23-Dec-201945.9 KiB983818

qs_period_efield_types.FH A D23-Dec-20194.5 KiB11961

qs_resp.FH A D23-Dec-201987.1 KiB1,8371,429

qs_rho0_ggrid.FH A D23-Dec-201930.6 KiB721545

qs_rho0_methods.FH A D23-Dec-201925.2 KiB593419

qs_rho0_types.FH A D23-Dec-201922.1 KiB595361

qs_rho_atom_methods.FH A D23-Dec-201955.4 KiB1,235893

qs_rho_atom_types.FH A D23-Dec-201911.9 KiB296212

qs_rho_methods.FH A D23-Dec-201933.5 KiB747588

qs_rho_types.FH A D23-Dec-201917.4 KiB377210

qs_sccs.FH A D23-Dec-201954.1 KiB1,228869

qs_scf.FH A D23-Dec-201981.9 KiB1,6261,213

qs_scf_block_davidson.FH A D23-Dec-201942.2 KiB971714

qs_scf_diagonalization.FH A D23-Dec-201974.7 KiB1,6651,207

qs_scf_initialization.FH A D23-Dec-201959 KiB1,181898

qs_scf_lanczos.FH A D23-Dec-201937.8 KiB890647

qs_scf_loop_utils.FH A D23-Dec-201932.7 KiB713471

qs_scf_methods.FH A D23-Dec-201937.2 KiB851506

qs_scf_output.FH A D23-Dec-201947.5 KiB908735

qs_scf_post_gpw.FH A D23-Dec-2019169.2 KiB3,3522,608

qs_scf_post_scf.FH A D23-Dec-20194.1 KiB8957

qs_scf_post_se.FH A D23-Dec-201936.3 KiB734565

qs_scf_post_tb.FH A D23-Dec-201980.1 KiB1,6531,372

qs_scf_types.FH A D23-Dec-201925.1 KiB591422

qs_scf_wfn_mix.FH A D23-Dec-20199.7 KiB199129

qs_spin_orbit.FH A D23-Dec-201912.8 KiB309216

qs_subsys_methods.FH A D23-Dec-201913.4 KiB276177

qs_subsys_types.FH A D23-Dec-201914.2 KiB296195

qs_tddfpt2_methods.FH A D23-Dec-2019189.1 KiB3,7712,502

qs_tddfpt2_subgroups.FH A D23-Dec-201936.6 KiB727453

qs_tddfpt_eigensolver.FH A D23-Dec-201925.7 KiB635432

qs_tddfpt_module.FH A D23-Dec-20198.4 KiB187122

qs_tddfpt_types.FH A D23-Dec-20195.6 KiB13685

qs_tddfpt_utils.FH A D23-Dec-201919.1 KiB466298

qs_tensors.FH A D23-Dec-201968.2 KiB1,5981,168

qs_tensors_types.FH A D23-Dec-201917 KiB388242

qs_update_s_mstruct.FH A D23-Dec-201913.8 KiB317209

qs_vxc.FH A D23-Dec-201933.5 KiB745535

qs_vxc_atom.FH A D23-Dec-201973.6 KiB1,6141,203

qs_wannier90.FH A D23-Dec-201928.6 KiB633523

qs_wf_history_methods.FH A D23-Dec-201953.8 KiB1,153910

qs_wf_history_types.FH A D23-Dec-201910.4 KiB241113

rel_control_types.FH A D23-Dec-20197.7 KiB18479

replica_methods.FH A D23-Dec-201923.8 KiB498377

replica_types.FH A D23-Dec-201917.9 KiB388230

restraint.FH A D23-Dec-201929 KiB619416

ri_environment_methods.FH A D23-Dec-201927.7 KiB645454

rmsd.FH A D23-Dec-201910.9 KiB291219

rpa_axk.FH A D23-Dec-201924.4 KiB543339

rpa_communication.FH A D23-Dec-201947.9 KiB1,060761

rpa_gw.FH A D23-Dec-2019243.5 KiB5,5853,585

rpa_gw_ic.FH A D23-Dec-201954.6 KiB1,363877

rpa_gw_im_time_util.FH A D23-Dec-201964 KiB1,6561,026

rpa_gw_kpoints.FH A D23-Dec-2019122.9 KiB2,6911,718

rpa_im_time.FH A D23-Dec-2019180.7 KiB4,2102,609

rpa_kpoints.FH A D23-Dec-201937.1 KiB874517

rpa_main.FH A D23-Dec-2019124.7 KiB2,3071,677

rpa_rse.FH A D23-Dec-201938.7 KiB888611

rpa_util.FH A D23-Dec-201990.7 KiB2,0511,265

rt_propagation_forces.FH A D23-Dec-201923.5 KiB493325

rt_propagation_types.FH A D23-Dec-201923.1 KiB517391

rtp_admm_methods.FH A D23-Dec-201924.6 KiB524343

s_square_methods.FH A D23-Dec-20199.8 KiB204132

sap_kind_types.FH A D23-Dec-20199.1 KiB241150

scf_control_types.FH A D23-Dec-201937.1 KiB792534

se_core_core.FH A D23-Dec-201913.4 KiB265199

se_core_matrix.FH A D23-Dec-201974.2 KiB1,3931,180

se_fock_matrix.FH A D23-Dec-201912.8 KiB264183

se_fock_matrix_coulomb.FH A D23-Dec-201980.2 KiB1,5301,211

se_fock_matrix_dbg.FH A D23-Dec-20193.5 KiB8242

se_fock_matrix_exchange.FH A D23-Dec-201914.5 KiB279216

se_fock_matrix_integrals.FH A D23-Dec-201945 KiB1,144732

semi_empirical_expns3_methods.FH A D23-Dec-20199.4 KiB218147

semi_empirical_expns3_types.FH A D23-Dec-20193.5 KiB8134

semi_empirical_int3_utils.FH A D23-Dec-20197.6 KiB21298

semi_empirical_int_ana.FH A D23-Dec-201985 KiB1,7981,254

semi_empirical_int_args.hH A D23-Dec-201957 21

semi_empirical_int_arrays.FH A D23-Dec-201974.8 KiB1,8181,090

semi_empirical_int_debug.FH A D23-Dec-201926.7 KiB700461

semi_empirical_int_debug.hH A D23-Dec-20199.1 KiB207197

semi_empirical_int_gks.FH A D23-Dec-201949.6 KiB1,3311,035

semi_empirical_int_num.FH A D23-Dec-201953.2 KiB1,169756

semi_empirical_int_utils.FH A D23-Dec-2019117.9 KiB2,4521,840

semi_empirical_integrals.FH A D23-Dec-201930.9 KiB624429

semi_empirical_mpole_methods.FH A D23-Dec-201912.2 KiB300193

semi_empirical_mpole_types.FH A D23-Dec-20199 KiB215121

semi_empirical_par_utils.FH A D23-Dec-201950.7 KiB1,092726

semi_empirical_parameters.FH A D23-Dec-2019342.3 KiB9,3748,659

semi_empirical_store_int_types.FH A D23-Dec-201912.6 KiB267172

semi_empirical_types.FH A D23-Dec-201945.2 KiB944688

semi_empirical_utils.FH A D23-Dec-201915.5 KiB365260

shg_integrals_test.FH A D23-Dec-201945.2 KiB895690

simpar_types.FH A D23-Dec-20194.9 KiB12977

sirius_interface.FH A D23-Dec-201931.8 KiB690480

sockets.cH A D23-Dec-20195.1 KiB17069

spglib_f08.FH A D23-Dec-201914.7 KiB340199

splines_methods.FH A D23-Dec-201910.3 KiB247124

splines_types.FH A D23-Dec-201917.7 KiB432263

spme.FH A D23-Dec-201940.9 KiB957658

statistical_methods.FH A D23-Dec-201918.2 KiB491343

stm_images.FH A D23-Dec-201919.3 KiB405297

subcell_types.FH A D23-Dec-20198.1 KiB215123

surface_dipole.FH A D23-Dec-201910.5 KiB251182

taper_types.FH A D23-Dec-20194.6 KiB11955

task_list_methods.FH A D23-Dec-2019115.7 KiB2,7611,705

task_list_types.FH A D23-Dec-20193.9 KiB10257

topology.FH A D23-Dec-201932.1 KiB670451

topology_amber.FH A D23-Dec-201981 KiB1,7681,246

topology_cif.FH A D23-Dec-201918.6 KiB386282

topology_connectivity_util.FH A D23-Dec-201963 KiB1,3851,205

topology_constraint_util.FH A D23-Dec-201971.3 KiB1,4061,138

topology_coordinate_util.FH A D23-Dec-201938 KiB806646

topology_cp2k.FH A D23-Dec-201910.9 KiB238185

topology_generate_util.FH A D23-Dec-201993.1 KiB2,0761,690

topology_gromos.FH A D23-Dec-201939.1 KiB789712

topology_input.FH A D23-Dec-201934.9 KiB616515

topology_multiple_unit_cell.FH A D23-Dec-20197.5 KiB142102

topology_pdb.FH A D23-Dec-201919 KiB399290

topology_psf.FH A D23-Dec-201941.3 KiB902754

topology_types.FH A D23-Dec-201936.3 KiB805661

topology_util.FH A D23-Dec-201955.9 KiB1,281942

topology_xtl.FH A D23-Dec-201916.1 KiB334242

topology_xyz.FH A D23-Dec-20198.2 KiB180134

transport.FH A D23-Dec-201939.7 KiB791542

transport_env_types.FH A D23-Dec-201911.4 KiB258171

uff_vdw_radii_table.FH A D23-Dec-201910.8 KiB178142

virial_methods.FH A D23-Dec-20199.3 KiB207121

wannier90.FH A D23-Dec-201946 KiB960658

wannier_states.FH A D23-Dec-20198 KiB173114

wannier_states_types.FH A D23-Dec-20191.1 KiB258

xas_control.FH A D23-Dec-201914.3 KiB349237

xas_env_types.FH A D23-Dec-201921 KiB449289

xas_methods.FH A D23-Dec-201981.7 KiB1,7511,314

xas_restart.FH A D23-Dec-201923.4 KiB520354

xas_tdp_atom.FH A D23-Dec-2019149.3 KiB3,3982,206

xas_tdp_kernel.FH A D23-Dec-201971.6 KiB1,546882

xas_tdp_methods.FH A D23-Dec-2019139.1 KiB3,0362,108

xas_tdp_types.FH A D23-Dec-201959.3 KiB1,276865

xas_tdp_utils.FH A D23-Dec-2019187.7 KiB3,9062,459

xas_tp_scf.FH A D23-Dec-201934.8 KiB739555

xc_adiabatic_methods.FH A D23-Dec-20195.7 KiB13273

xc_adiabatic_utils.FH A D23-Dec-20198.9 KiB184122

xc_pot_saop.FH A D23-Dec-201959.6 KiB1,279972

xc_write_output.FH A D23-Dec-20195.3 KiB10571

xray_diffraction.FH A D23-Dec-201929.4 KiB761567

xtb_coulomb.FH A D23-Dec-201944.6 KiB977784

xtb_ehess.FH A D23-Dec-201916.3 KiB352272

xtb_matrices.FH A D23-Dec-201963.1 KiB1,3721,148

xtb_parameters.FH A D23-Dec-201927.5 KiB615462

xtb_types.FH A D23-Dec-201917.4 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