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mirror of https://gitlab.com/scemama/qmcchem.git synced 2024-05-29 17:35:19 +02:00
qmcchem/src
2022-02-09 15:20:45 +01:00
..
AO New IRPF90 2017-06-14 01:11:26 +02:00
JASTROW Added 1body jastrow mu erf 2022-01-26 19:48:16 +01:00
MAIN Minor changes 2022-02-09 15:20:45 +01:00
PROPERTIES Minor changes 2022-02-09 15:20:45 +01:00
SAMPLING Fixed exploding energies with pseudos 2020-05-11 13:49:07 +02:00
TOOLS More precise Ylm 2020-05-24 03:02:00 +02:00
ZMQ Longer timeout 2022-01-12 23:19:44 +01:00
.gitignore Fixed Makefiles 2019-10-01 09:36:29 +02:00
constants.F Added some .irp.f files 2015-12-19 03:29:52 +01:00
det.irp.f Merge Abdallah 2022-01-14 12:40:31 +01:00
electrons.irp.f Removed padding in sparse_full_mv 2016-06-03 14:14:27 +02:00
ezfio_interface.irp.f Added 1body jastrow mu erf 2022-01-26 19:48:16 +01:00
finish.irp.f Added some .irp.f files 2015-12-19 03:29:52 +01:00
Makefile Added 1body jastrow mu erf 2022-01-26 19:48:16 +01:00
mo_point.irp.f Added some .irp.f files 2015-12-19 03:29:52 +01:00
mo.irp.f DIR -> OMP 2021-05-31 14:01:33 +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 More precise Ylm 2020-05-24 03:02:00 +02:00
psi.irp.f Fixed dmc_dress 2021-09-07 18:48:30 +02:00
simulation.irp.f Fixed duration of a block 2017-10-12 15:51:15 +02:00
svd.irp.f keep svd coefs 2021-06-29 15:56:10 +02:00
types.F Integrated Jastrow Mu 2021-07-31 11:33:20 +02:00
wf.irp.f Fast SVD 2021-06-21 14:30:29 +02:00