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mirror of https://gitlab.com/scemama/qmcchem.git synced 2024-12-22 04:13:31 +01:00
qmcchem/src
2019-07-23 17:27:02 +02:00
..
AO New IRPF90 2017-06-14 01:11:26 +02:00
JASTROW ZMQ versio update 2017-03-26 21:36:23 +02:00
MAIN Added scripts 2015-12-20 01:09:14 +01:00
PROPERTIES Downgraded dependencies 2018-07-09 19:57:05 +02:00
SAMPLING Updates 2019-07-01 11:32:01 +02:00
TOOLS Updates 2019-07-01 11:32:01 +02:00
ZMQ Fixed zmq_ezfio 2018-09-12 09:34:51 +02:00
.gitignore Works with gfortran. Fixed ezfio.ml compiling problem. 2015-12-29 00:48:17 +01:00
constants.F Added some .irp.f files 2015-12-19 03:29:52 +01:00
det.irp.f Updates 2019-07-01 11:32:01 +02:00
electrons.irp.f Removed padding in sparse_full_mv 2016-06-03 14:14:27 +02:00
ezfio_interface.irp.f Fixing Ocaml 2019-07-23 17:27:02 +02:00
finish.irp.f Added some .irp.f files 2015-12-19 03:29:52 +01:00
mo_point.irp.f Added some .irp.f files 2015-12-19 03:29:52 +01:00
mo.irp.f Fixing Ocaml 2019-07-23 17:27:02 +02:00
nuclei.irp.f Changed norm of MOs when the fitcusp is used 2016-03-17 15:41:47 +01:00
point.irp.f Added some .irp.f files 2015-12-19 03:29:52 +01:00
prepare_walkers.irp.f Better prepare_walkers 2016-03-29 15:20:03 +02:00
properties.py Updates 2019-07-01 11:32:01 +02:00
pseudo.irp.f Added D and F spherical harmonics in pseudo 2016-07-21 16:06:40 +02:00
psi.irp.f Removed ao_value and psi_grad_x 2016-01-11 22:52:47 +01:00
simulation.irp.f Fixed duration of a block 2017-10-12 15:51:15 +02:00
types.F ZV energy 2016-05-02 21:19:36 +02:00
wf.irp.f Updates 2019-07-01 11:32:01 +02:00