From 537b6ba501537b50834f8cb4bda7c9890f7793ff Mon Sep 17 00:00:00 2001 From: Kazuya Ishimura Date: Mon, 26 Jul 2021 23:06:30 +0900 Subject: [PATCH] Modify README --- README | 14 +++++++------- 1 file changed, 7 insertions(+), 7 deletions(-) diff --git a/README b/README index a1fb51c..f17d94b 100644 --- a/README +++ b/README @@ -5,16 +5,16 @@ About SMASH ----------- Scalable Molecular Analysis Solver for High-performance computing systems - (SMASH) is massively parallel software for quantum chemistry calculations - and released under the Apache 2.0 open source license. It is currently + (SMASH) is massively parallel open-source software for quantum chemistry + It is released under the Apache 2.0 open source license, and is currently capable of energy, analytical gradient, and geometry optimization calculations of Hartree-Fock theory, Density Functional Theory (DFT), and Second-order Moller-Plesset (MP2) perturbation theory. DFT calculations - can be performed on 100,000 CPU cores of K Computer with high parallel - efficiency. The Fortran 90/95 language is used with MPI and OpenMP for - inter-node and intra-node parallelization, respectively. Supported - platforms are x86-64/Linux with Intel, NVIDIA HPC SDK (ex-PGI), or GNU - compilers, and Supercomputer Fugaku and FX1000/700 with Fujitsu compiler. + can be performed on 100,000 CPU cores with high parallel efficiency. + The Fortran 90/95 language is used with MPI and OpenMP for inter-node and + intra-node parallelization, respectively. Supported platforms are + x86-64/Linux with Intel, NVIDIA HPC SDK (ex-PGI), or GNU compilers, and + Supercomputer Fugaku and FX1000/700 with Fujitsu compiler. Documentation -------------