From ea36e3aa284b4bf69d360f443abf1ea3446810eb Mon Sep 17 00:00:00 2001 From: Anthony Scemama Date: Fri, 4 Nov 2016 22:31:55 +0100 Subject: [PATCH] Cleaned MRPT --- .../MRPT_Utils.main.irp.f | 0 plugins/MRPT/NEEDED_CHILDREN_MODULES | 1 + plugins/MRPT/README.rst | 14 +++++++ plugins/MRPT/mrpt.irp.f | 38 +++++++++++++++++++ plugins/{MRPT_Utils => MRPT}/print_1h2p.irp.f | 0 plugins/MRPT_Utils/NEEDED_CHILDREN_MODULES | 2 +- 6 files changed, 54 insertions(+), 1 deletion(-) rename plugins/{MRPT_Utils => MRPT}/MRPT_Utils.main.irp.f (100%) create mode 100644 plugins/MRPT/NEEDED_CHILDREN_MODULES create mode 100644 plugins/MRPT/README.rst create mode 100644 plugins/MRPT/mrpt.irp.f rename plugins/{MRPT_Utils => MRPT}/print_1h2p.irp.f (100%) diff --git a/plugins/MRPT_Utils/MRPT_Utils.main.irp.f b/plugins/MRPT/MRPT_Utils.main.irp.f similarity index 100% rename from plugins/MRPT_Utils/MRPT_Utils.main.irp.f rename to plugins/MRPT/MRPT_Utils.main.irp.f diff --git a/plugins/MRPT/NEEDED_CHILDREN_MODULES b/plugins/MRPT/NEEDED_CHILDREN_MODULES new file mode 100644 index 00000000..7340c609 --- /dev/null +++ b/plugins/MRPT/NEEDED_CHILDREN_MODULES @@ -0,0 +1 @@ +MRPT_Utils Selectors_full Generators_full diff --git a/plugins/MRPT/README.rst b/plugins/MRPT/README.rst new file mode 100644 index 00000000..a9a0860c --- /dev/null +++ b/plugins/MRPT/README.rst @@ -0,0 +1,14 @@ +==== +MRPT +==== + +Executables for Multi-reference perturbation. + +Needed Modules +============== +.. Do not edit this section It was auto-generated +.. by the `update_README.py` script. +Documentation +============= +.. Do not edit this section It was auto-generated +.. by the `update_README.py` script. diff --git a/plugins/MRPT/mrpt.irp.f b/plugins/MRPT/mrpt.irp.f new file mode 100644 index 00000000..8c8d746d --- /dev/null +++ b/plugins/MRPT/mrpt.irp.f @@ -0,0 +1,38 @@ +program MRPT + implicit none + BEGIN_DOC +! TODO + END_DOC + print *, ' _/ ' + print *, ' -:\_?, _Jm####La ' + print *, 'J"(:" > _]#AZ#Z#UUZ##, ' + print *, '_,::./ %(|i%12XmX1*1XL _?, ' + print *, ' \..\ _\(vmWQwodY+ia%lnL _",/ ( ' + print *, ' .:< ]J=mQD?WXn|,)nr" ' + print *, ' 4XZ#Xov1v}=)vnXAX1nnv;1n" ' + print *, ' ]XX#ZXoovvvivnnnlvvo2*i7 ' + print *, ' "23Z#1S2oo2XXSnnnoSo2>v" ' + print *, ' miX#L -~`""!!1}oSoe|i7 ' + print *, ' 4cn#m, v221=|v[ ' + print *, ' ]hI3Zma,;..__wXSe=+vo ' + print *, ' ]Zov*XSUXXZXZXSe||vo2 ' + print *, ' ]Z#>=|< ' + print *, ' -ziiiii||||||+||==+> ' + print *, ' -%|+++||=|=+|=|==/ ' + print *, ' -a>====+|====-:- ' + print *, ' "~,- -- /- ' + print *, ' -. )> ' + print *, ' .~ +- ' + print *, ' . .... : . ' + print *, ' -------~ ' + print *, '' +end diff --git a/plugins/MRPT_Utils/print_1h2p.irp.f b/plugins/MRPT/print_1h2p.irp.f similarity index 100% rename from plugins/MRPT_Utils/print_1h2p.irp.f rename to plugins/MRPT/print_1h2p.irp.f diff --git a/plugins/MRPT_Utils/NEEDED_CHILDREN_MODULES b/plugins/MRPT_Utils/NEEDED_CHILDREN_MODULES index a613d5f2..34de8ddb 100644 --- a/plugins/MRPT_Utils/NEEDED_CHILDREN_MODULES +++ b/plugins/MRPT_Utils/NEEDED_CHILDREN_MODULES @@ -1 +1 @@ -Determinants Selectors_full Generators_full Davidson +Determinants Davidson