From 30f0c73eed4d7181beadcf1391d3f1a092d338e4 Mon Sep 17 00:00:00 2001 From: Daniel Mejia-Rodriguez Date: Thu, 11 Aug 2022 11:34:15 -0700 Subject: [PATCH] Complete first skeleton --- src/bsemol/GNUmakefile | 3 ++- src/bsemol/bse_analytic.F | 9 +++++++++ src/bsemol/bse_davidson.F | 9 +++++++++ src/bsemol/bse_defaults.F | 6 ++++++ src/bsemol/bse_init.F | 9 +++++++++ src/bsemol/bse_lanczos.F | 9 +++++++++ src/bsemol/bsemol.F | 2 ++ 7 files changed, 46 insertions(+), 1 deletion(-) create mode 100644 src/bsemol/bse_analytic.F create mode 100644 src/bsemol/bse_davidson.F create mode 100644 src/bsemol/bse_defaults.F create mode 100644 src/bsemol/bse_init.F create mode 100644 src/bsemol/bse_lanczos.F diff --git a/src/bsemol/GNUmakefile b/src/bsemol/GNUmakefile index 116ecb3dd4..2fff435196 100644 --- a/src/bsemol/GNUmakefile +++ b/src/bsemol/GNUmakefile @@ -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 = diff --git a/src/bsemol/bse_analytic.F b/src/bsemol/bse_analytic.F new file mode 100644 index 0000000000..764ceae421 --- /dev/null +++ b/src/bsemol/bse_analytic.F @@ -0,0 +1,9 @@ + subroutine bse_analytic(pars) + + implicit none + +#include "bse.fh" + + type(bse_params_t) :: pars + + end subroutine bse_analytic diff --git a/src/bsemol/bse_davidson.F b/src/bsemol/bse_davidson.F new file mode 100644 index 0000000000..ba4aa6b89a --- /dev/null +++ b/src/bsemol/bse_davidson.F @@ -0,0 +1,9 @@ + subroutine bse_davidson(pars) + + implicit none + +#include "bse.fh" + + type(bse_params_t) :: pars + + end subroutine bse_davidson diff --git a/src/bsemol/bse_defaults.F b/src/bsemol/bse_defaults.F new file mode 100644 index 0000000000..06998ce702 --- /dev/null +++ b/src/bsemol/bse_defaults.F @@ -0,0 +1,6 @@ + subroutine bse_defaults(rtdb) + implicit none + + integer rtdb + + end subroutine bse_defaults diff --git a/src/bsemol/bse_init.F b/src/bsemol/bse_init.F new file mode 100644 index 0000000000..d938c9ef94 --- /dev/null +++ b/src/bsemol/bse_init.F @@ -0,0 +1,9 @@ + subroutine bse_init(pars) + + implicit none + +#include "bse.fh" + + type(bse_params_t) :: pars + + end subroutine bse_init diff --git a/src/bsemol/bse_lanczos.F b/src/bsemol/bse_lanczos.F new file mode 100644 index 0000000000..1ed128b21c --- /dev/null +++ b/src/bsemol/bse_lanczos.F @@ -0,0 +1,9 @@ + subroutine bse_lanczos(pars) + + implicit none + +#include "bse.fh" + + type(bse_params_t) :: pars + + end subroutine bse_lanczos diff --git a/src/bsemol/bsemol.F b/src/bsemol/bsemol.F index 2ed16f1ff7..8f40bf130e 100644 --- a/src/bsemol/bsemol.F +++ b/src/bsemol/bsemol.F @@ -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