├── .gitignore ├── .gitmodules ├── .readthedocs.yaml ├── INSTALL.md ├── LICENSE ├── Makefile.am ├── README.md ├── autogen.sh ├── bin └── .gitignore ├── config └── .gitignore ├── configure.ac ├── docs ├── Makefile ├── requirements.txt └── source │ ├── _static │ └── QmcChemLogo.png │ ├── conf.py │ ├── contrib.rst │ ├── faq.rst │ ├── index.rst │ ├── installation.rst │ ├── overview.rst │ ├── refs.rst │ └── usage.rst ├── ezfio_config └── qmc.config ├── include └── .gitignore ├── m4 ├── ax_blas.m4 ├── ax_check_gnu_make.m4 ├── ax_check_nic.m4 ├── ax_irpf90.m4 ├── ax_lapack.m4 └── ax_zmq.m4 ├── ocaml ├── .gitignore ├── Block.ml ├── Command_line.ml ├── Command_line.mli ├── Default.ml ├── Input.ml ├── Launcher.ml ├── Makefile ├── Message.ml ├── QmcMd5.ml ├── Qmcchem_config.ml ├── Qmcchem_dataserver.ml ├── Qmcchem_debug.ml ├── Qmcchem_edit.ml ├── Qmcchem_forwarder.ml ├── Qmcchem_info.ml ├── Qmcchem_md5.ml ├── Qmcchem_result.ml ├── Qmcchem_run.ml ├── Qmcchem_stop.ml ├── Qputils.ml ├── Random_variable.ml ├── Sample.ml ├── Sample.mli ├── Scheduler.ml ├── Status.ml ├── String_ext.ml ├── Time.ml ├── Watchdog.ml ├── _tags ├── c_bindings.c ├── myocamlbuild.ml ├── qmcchem.ml └── qptypes_generator.ml ├── qmcchemrc.in ├── scripts ├── create_properties_ezfio.py └── create_properties_python.py └── src ├── AO ├── ao.irp.f ├── ao_axis.irp.f ├── ao_full.irp.f ├── ao_oneD.irp.f ├── ao_point.irp.f └── ao_utils.irp.f ├── Hpsi.irp.f ├── JASTROW ├── jastrow_1b.irp.f ├── jastrow_core.irp.f ├── jastrow_full.irp.f ├── jastrow_mu.irp.f ├── jastrow_mu_1b.irp.f ├── jastrow_muenv.irp.f ├── jastrow_muenv_useful.irp.f ├── jastrow_mur.irp.f ├── jastrow_param.irp.f ├── jastrow_psi.irp.f ├── jastrow_qmckl.irp.f └── jastrow_simple.irp.f ├── MAIN ├── .gitignore ├── SVD_info.irp.f ├── admc.irp.f ├── admc.org ├── admc.py ├── admc_client.py ├── admc_server.py ├── bench_aos.irp.f ├── bench_mos.irp.f ├── debug.irp.f ├── print_Jast.irp.f ├── print_he.irp.f ├── qmc.irp.f ├── qmc_create_walkers.irp.f ├── qmcchem_info.irp.f └── vmc_test.irp.f ├── Makefile ├── PROPERTIES ├── properties.irp.f ├── properties_GSorthog.irp.f.save ├── properties_NightMelik.irp.f.save ├── properties_ci.irp.f ├── properties_ci_svd.irp.f.save ├── properties_deriv_jast.irp.f.save ├── properties_eJast.irp.f ├── properties_energy.irp.f ├── properties_general.irp.f ├── properties_lr.irp.f.save ├── properties_oo.irp.f.save ├── properties_tc.irp.f ├── properties_tc_svd.irp.f.save └── properties_tests.irp.f.save ├── SAMPLING ├── block.irp.f ├── brownian_step.irp.f ├── dmc_step.irp.f ├── fkmc_step.irp.f ├── langevin_step.irp.f ├── pdmc_step.irp.f ├── pseudo_stablization.irp.f ├── reconfigure.irp.f ├── srmc_step.irp.f └── vmc_step.irp.f ├── TOOLS ├── Util.irp.f ├── determinant.irp.f ├── info.irp.f ├── invert.irp.f ├── random.irp.f └── sort.irp.f ├── ZMQ ├── f77_zmq.h ├── f77_zmq_module.f90 ├── qmc.irp.f ├── sockets.irp.f ├── utils.irp.f ├── worker.irp.f └── zmq_ezfio.irp.f ├── constants.F ├── det_left.irp.f ├── 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