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96b9884017
qp2/src/utils
History
Emmanuel Giner 96b9884017 added some orbitals freezing in scf utils
2021-05-10 01:31:34 +02:00
..
angular_integration.irp.f Initial commit 2019-01-25 11:39:31 +01:00
c_funcs.c Removed internal reads in zmq 2021-03-31 13:36:42 +02:00
c_functions.f90 Removed internal reads in zmq 2021-03-31 13:36:42 +02:00
constants.include.F Initial commit 2019-01-25 11:39:31 +01:00
extrapolation.irp.f Linear dependencies cutoff 2020-05-25 11:31:28 +02:00
fortran_mmap.c Initial commit 2019-01-25 11:39:31 +01:00
integration.irp.f added some orbitals freezing in scf utils 2021-05-10 01:31:34 +02:00
linear_algebra.irp.f WIP 2021-01-12 14:23:33 +01:00
map_functions.irp.f Initial commit 2019-01-25 11:39:31 +01:00
map_module.f90 Initial commit 2019-01-25 11:39:31 +01:00
memory.irp.f Don't recompute 1st Davidson iteration 2019-11-18 15:56:26 +01:00
mmap.f90 Initial commit 2019-01-25 11:39:31 +01:00
NEED Initial commit 2019-01-25 11:39:31 +01:00
one_e_integration.irp.f merged alors 2020-11-08 18:27:57 +01:00
prim_in_r.irp.f Fixed division by zero in RSDFT 2020-05-20 11:45:41 +02:00
README.rst Initial commit 2019-01-25 11:39:31 +01:00
shank.irp.f added the possibility to use no_vvvv integrals from EZFIO 2020-05-11 16:04:16 +02:00
sort.irp.f removed generators bitmaks, and casscf with not continuous orbital windows is working 2019-10-24 19:02:42 +02:00
transpose.irp.f Initial commit 2019-01-25 11:39:31 +01:00
util.irp.f minor modifs 2020-09-21 15:38:26 +02:00

README.rst 

=====
utils
=====

Contains general purpose utilities (sorting, maps, etc).