Index of /QUIP/src/Programs/
../
Examples/ 17-Apr-2026 09:11 -
crackdoc/ 17-Apr-2026 09:11 -
Constraints_Demo.F90 17-Apr-2026 09:11 5635
DFTB_to_xml.F90 17-Apr-2026 09:11 13244
FC_to_xml.F90 17-Apr-2026 09:11 4175
GF_SC_notes.tex 17-Apr-2026 09:11 19084
Makefile 17-Apr-2026 09:11 3312
NRL_TB_to_xml.F90 17-Apr-2026 09:11 46295
QMMM_md_buf.F90 17-Apr-2026 09:11 105973
README 17-Apr-2026 09:11 222
SC_notes.tex 17-Apr-2026 09:11 17315
TO_DO 17-Apr-2026 09:11 38
align.F90 17-Apr-2026 09:11 3408
analytical_free_E_UI.F90 17-Apr-2026 09:11 6524
analyze_md_phonons.F90 17-Apr-2026 09:11 6338
basin_exploration.F90 17-Apr-2026 09:11 12922
bulktest.F90 17-Apr-2026 09:11 11274
calc_n_poles.F90 17-Apr-2026 09:11 1779
callback_test.F90 17-Apr-2026 09:11 3620
crack.F90 17-Apr-2026 09:11 71997
crack.xml 17-Apr-2026 09:11 2651
create_hybrid_cluster.F90 17-Apr-2026 09:11 5343
descriptors_wrapper_example.F90 17-Apr-2026 09:11 3015
error.inc 17-Apr-2026 09:11 6992
eval_server.sh 17-Apr-2026 09:11 2300
fgp.F90 17-Apr-2026 09:11 33670
fix_traj_latest.F90 17-Apr-2026 09:11 3572
get_qw.F90 17-Apr-2026 09:11 4972
kp_mesh.py 17-Apr-2026 09:11 3074
local_E_fd.F90 17-Apr-2026 09:11 5378
local_random_search.F90 17-Apr-2026 09:11 7811
lotf_params.xml 17-Apr-2026 09:11 2549
mark_hybrid.F90 17-Apr-2026 09:11 4878
md.F90 17-Apr-2026 09:11 49525
md_gid.F90 17-Apr-2026 09:11 10479
meson.build 17-Apr-2026 09:11 1715
metapot_test.F90 17-Apr-2026 09:11 5036
order_atoms_as_molecules.F90 17-Apr-2026 09:11 2581
parallel_io_test.F90 17-Apr-2026 09:11 3792
quip.F90 17-Apr-2026 09:11 46135
quip_wrapper_example.F90 17-Apr-2026 09:11 1404
quip_wrapper_simple_example.F90 17-Apr-2026 09:11 891
quip_wrapper_simple_example_C.c 17-Apr-2026 09:11 764
randomise_calc.F90 17-Apr-2026 09:11 7910
rotate.F90 17-Apr-2026 09:11 2348
slice_sample.F90 17-Apr-2026 09:11 13029
socktest.F90 17-Apr-2026 09:11 1963
socktest2.F90 17-Apr-2026 09:11 2950
tabletest.F90 17-Apr-2026 09:11 7335
test_CASTEP_MM_buffer_crack.F90 17-Apr-2026 09:11 4273
test_CASTEP_water_bulk.F90 17-Apr-2026 09:11 8055
test_CASTEP_water_chain.F90 17-Apr-2026 09:11 5141
test_angular.F90 17-Apr-2026 09:11 499
test_cova.F90 17-Apr-2026 09:11 7280
test_dimer.F90 17-Apr-2026 09:11 3754
test_grad_sphericals.F90 17-Apr-2026 09:11 549
test_task_manager.F90 17-Apr-2026 09:11 2277
ts_calculation.F90 17-Apr-2026 09:11 7960
vacancy_map.F90 17-Apr-2026 09:11 5477
vacancy_map_forcemix_relax.F90 17-Apr-2026 09:11 6235
vacancy_map_hybrid_generate.F90 17-Apr-2026 09:11 7643
vacancy_map_hybrid_relax.F90 17-Apr-2026 09:11 5237
vacancy_map_mod.F90 17-Apr-2026 09:11 3193
water_dimer_mayer.F90 17-Apr-2026 09:11 8975
water_dimer_mc.F90 17-Apr-2026 09:11 11484
wrap.F90 17-Apr-2026 09:11 2188
xyz_to_SPECSYM_forces.F90 17-Apr-2026 09:11 2294
xyz_to_SPECSYM_start.F90 17-Apr-2026 09:11 1896