From bb8220ccee3693e7e5b0b234fb3ca9c407166125 Mon Sep 17 00:00:00 2001 From: mikami3heart Date: Wed, 20 Mar 2019 12:38:02 +0900 Subject: [PATCH] Web address change --- LICENSE | 4 ++-- README.md | 14 +++++++------- contributors | 4 ++-- 3 files changed, 11 insertions(+), 11 deletions(-) diff --git a/LICENSE b/LICENSE index 6edc502..f13701a 100644 --- a/LICENSE +++ b/LICENSE @@ -1,5 +1,5 @@ -Copyright (c) 2013 Computational Molecular Science Research Team, - RIKEN Advanced Institute for Computational Science +Copyright (c) 2013-2019 Computational Molecular Science Research Team, + RIKEN Center for Computational Science All rights reserved. Redistribution and use in source and binary forms, with or without diff --git a/README.md b/README.md index 6bc1ba1..20ce0e6 100644 --- a/README.md +++ b/README.md @@ -2,8 +2,8 @@ NTChem-mini ============= -* version: 1.1 (based on NTChem/RI-MP2 dated 2014/10/31) -* update: 2014/12/28 (bug fix rimp2_rmp2energy_incore_v_mpiomp.F90) +* version: 1.2 (based on NTChem/RI-MP2 dated 2014/10/31) +* update: 2019/3/20 (Web address for the separate large data sets changed) * contact: miniapp@riken.jp About NTChem and NTChem-mini @@ -11,14 +11,14 @@ About NTChem and NTChem-mini NTChem is a high-performance software package for the molecular electronic structure calculation for general purpose on the K computer. -It is a comprehensive new software of ab initio quantum chemistry made in AICS +It is a comprehensive new software of ab initio quantum chemistry made in R-CCS from scratch. NTChem contains not only standard quantum chemistry approaches but our own original approaches. NTChem is expected to be a useful tool in various computational studies for large and complicated molecular systems. For more details, see NTChem official webpage - . + . NTChem-mini includes a subset of NTChem known as NTChem/RI-MP2 that includes the efficient scheme to account for the electron correlations based on the @@ -299,7 +299,7 @@ data. A separate file containing the molecular data suitable for such performance test has been made available for downloading from the following site. -http://hpci-aplfs.aics.riken.jp/fiber/ntchem-mini/ntchem-data-perf.tar.gz +https://hpci-aplfs.r-ccs.riken.jp/fiber/ntchem-mini/ntchem-data-perf.tar.gz #### Setting up the performance test data @@ -370,6 +370,6 @@ License term The License term of NTChem-mini is provided in the BSD 2-Clause License. Please refer to "LICENSE" file included in the NTChem-mini package. -Copyright (c) 2012-2014, Computational Molecular Science Research Team, -RIKEN Advanced Institute for Computational Science +Copyright (c) 2012-2019, Computational Molecular Science Research Team, +RIKEN Center for Computational Science diff --git a/contributors b/contributors index 3ba8f16..30aff44 100644 --- a/contributors +++ b/contributors @@ -1,3 +1,3 @@ NTChem/RI-MP2 - Michio Katouda (RIKEN, AICS) (mkatouda@riken.jp) (Oct.2011-) - Takahito Nakajima (RIKEN, AICS) (nakajima@riken.jp) (Oct.2011-) + Michio Katouda (RIKEN, R-CCS) (mkatouda@riken.jp) (Oct.2011-Mar.2017) + Takahito Nakajima (RIKEN, R-CCS) (nakajima@riken.jp) (Oct.2011-)