Complete first skeleton

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Daniel Mejia-Rodriguez 2022-08-11 11:34:15 -07:00 committed by edoapra
parent e74b2e5920
commit 30f0c73eed
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7 changed files with 46 additions and 1 deletions

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@ -1,4 +1,5 @@
OBJ = bsemol.o bse_input.o
OBJ = bsemol.o bse_input.o bse_init.o bse_analytic.o \
bse_davidson.o bse_lanczos.o bse_defaults.o
USES_BLAS =
OBJ_OPTIMIZE =

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@ -0,0 +1,9 @@
subroutine bse_analytic(pars)
implicit none
#include "bse.fh"
type(bse_params_t) :: pars
end subroutine bse_analytic

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@ -0,0 +1,9 @@
subroutine bse_davidson(pars)
implicit none
#include "bse.fh"
type(bse_params_t) :: pars
end subroutine bse_davidson

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@ -0,0 +1,6 @@
subroutine bse_defaults(rtdb)
implicit none
integer rtdb
end subroutine bse_defaults

9
src/bsemol/bse_init.F Normal file
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subroutine bse_init(pars)
implicit none
#include "bse.fh"
type(bse_params_t) :: pars
end subroutine bse_init

9
src/bsemol/bse_lanczos.F Normal file
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subroutine bse_lanczos(pars)
implicit none
#include "bse.fh"
type(bse_params_t) :: pars
end subroutine bse_lanczos

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@ -55,6 +55,8 @@ c
if (params%davidson) then
call bse_davidson(params)
elseif (params%lanczos) then
call bse_lanczos(params)
else
call bse_analytic(params)
endif