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elsi-devel
elsi_rci
Commits
fe4a6768
Commit
fe4a6768
authored
Oct 18, 2021
by
Yingzhou Li
Browse files
Merge branch 'defaultSolver' into 'master'
Added default solver to case See merge request
!2
parents
e4868860
a5e773fc
Pipeline
#2054
canceled with stage
Changes
2
Pipelines
1
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Inline
Side-by-side
src/elsi_rci_interface.f90
View file @
fe4a6768
...
...
@@ -38,7 +38,7 @@ contains
type
(
rci_instr
),
intent
(
inout
)
::
iS
select
case
(
r_h
%
solver
)
case
(
RCI_SOLVER_DAVIDSON
)
case
(
RCI_SOLVER
,
RCI_SOLVER_DAVIDSON
)
call
rci_davidson_allocate
(
r_h
,
ijob
,
iS
,
task
)
case
(
RCI_SOLVER_OMM
)
call
rci_omm_allocate
(
r_h
,
ijob
,
iS
,
task
)
...
...
@@ -65,7 +65,7 @@ contains
type
(
rci_instr
),
intent
(
inout
)
::
iS
select
case
(
r_h
%
solver
)
case
(
RCI_SOLVER_DAVIDSON
)
case
(
RCI_SOLVER
,
RCI_SOLVER_DAVIDSON
)
call
rci_davidson_deallocate
(
r_h
,
ijob
,
iS
,
task
)
case
(
RCI_SOLVER_OMM
)
call
rci_omm_deallocate
(
r_h
,
ijob
,
iS
,
task
)
...
...
@@ -93,7 +93,7 @@ contains
type
(
rci_instr
),
intent
(
inout
)
::
iS
select
case
(
r_h
%
solver
)
case
(
RCI_SOLVER_DAVIDSON
)
case
(
RCI_SOLVER
,
RCI_SOLVER_DAVIDSON
)
call
rci_davidson
(
r_h
,
ijob
,
iS
,
task
,
resvec
)
case
(
RCI_SOLVER_OMM
)
call
rci_omm
(
r_h
,
ijob
,
iS
,
task
,
resvec
)
...
...
src/elsi_rci_setup.f90
View file @
fe4a6768
...
...
@@ -56,7 +56,7 @@ contains
r_h
%
cheb_max_inneriter
=
10
select
case
(
solver
)
case
(
RCI_SOLVER_DAVIDSON
)
case
(
RCI_SOLVER
,
RCI_SOLVER_DAVIDSON
)
r_h
%
n_res
=
min
(
4
*
n_state
,
n_basis
)
r_h
%
max_n
=
min
(
4
*
n_state
,
n_basis
)
case
(
RCI_SOLVER_OMM
)
...
...
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