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qp2/src/utils
History
Emmanuel Giner ca2b58b495 fixed two rdms
2021-06-03 14:57:45 +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
fixed two rdms
2021-06-03 14:57:45 +02:00
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
fixed two rdms
2021-06-03 14:57:45 +02:00
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).