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mirror of https://gitlab.com/scemama/qmcchem.git synced 2024-12-22 04:13:31 +01:00
qmcchem/src
2016-03-29 15:20:03 +02:00
..
AO Removed normalization of the AOs 2016-03-28 15:42:24 +02:00
JASTROW Full fortran sources 2015-12-20 00:54:56 +01:00
MAIN Added scripts 2015-12-20 01:09:14 +01:00
PROPERTIES Smaller time step errors 2016-01-18 20:17:37 +01:00
SAMPLING Added Rousset FKMC algorithm 2016-03-17 15:56:24 +01:00
TOOLS Fixed DMC 2016-01-14 13:07:44 +01:00
ZMQ Smaller time step errors 2016-01-18 20:17:37 +01:00
.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 Fixed non-compiling bugs 2015-12-20 01:29:59 +01:00
electrons.irp.f Added some .irp.f files 2015-12-19 03:29:52 +01:00
ezfio_interface.irp.f Changed norm of MOs when the fitcusp is used 2016-03-17 15:41:47 +01:00
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 Added Rousset FKMC algorithm 2016-03-17 15:56:24 +01:00
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 Added some .irp.f files 2015-12-19 03:29:52 +01:00
pseudo.irp.f Lagrange interpolation in pseudo 2016-01-29 19:17:29 +01:00
psi.irp.f Removed ao_value and psi_grad_x 2016-01-11 22:52:47 +01:00
simulation.irp.f Added Rousset FKMC algorithm 2016-03-17 15:56:24 +01:00
types.F Added Rousset FKMC algorithm 2016-03-17 15:56:24 +01:00
wf.irp.f Works with gfortran. Fixed ezfio.ml compiling problem. 2015-12-29 00:48:17 +01:00