Bump version to v1.0.0

README.md

@@ -8,13 +8,10 @@ Tinker9: Next Generation of Tinker with GPU Support
 Tinker9 is a complete rewrite and extension of the canonical Tinker software, currently Tinker8. Tinker9 is implemented as C++ code with OpenACC directives and CUDA kernels providing excellent performance on GPUs. At present, Tinker9 builds against the object library from Tinker8, and provides GPU versions of the Tinker ANALYZE, BAR, DYNAMIC, MINIMIZE and TESTGRAD programs. Existing Tinker file formats and force field parameter files are fully compatible with Tinker9, and nearly all Tinker8 keywords function identically in Tinker9. Over time we plan to port much or all of the remaining portions of Fortran Tinker8 to the C++ Tinker9 code base.
 
 
-## Release Notes
-[Release notes](https://github.com/TinkerTools/tinker9/discussions/197) are posted on GitHub.
+## [Release Notes](https://github.com/TinkerTools/tinker9/discussions/197)
 
 
-## Docker
-Docker images are now available for [download](https://hub.docker.com/r/tinkertools/tinker9).
-
+## [Docker Images](https://hub.docker.com/r/tinkertools/tinker9)
 The executables included in these images were compiled on a recent computer. It is known that they will not run on the machines with very old CPUs. If this is a problem for you, please write a new issue and provide us with more details.
 
 ## Installation Steps
@@ -35,8 +32,6 @@ version is accessible from the same webpage.
 We are trying to merge this documentation into [tinkerdoc.](https://tinkerdoc.readthedocs.io)
 
 
-## Features and Progress Tracker
-Please visit the [GitHub Projects Page](https://github.com/TinkerTools/tinker9/projects) for more details.
-
-Use [GitHub Issues](https://github.com/TinkerTools/tinker9/issues) for bug tracking and
+## Issues and Discussions
+Please use [GitHub Issues](https://github.com/TinkerTools/tinker9/issues) for bug tracking and
 [GitHub Discussions](https://github.com/TinkerTools/tinker9/discussions) for general discussions.

doc/manual/m/install/preq.rst

@@ -4,7 +4,6 @@ Prerequisites
 **Hardware**
 
 A relatively recent NVIDIA GPU is mandatory for the GPU code.
-Nothing special is needed for the CPU code.
 The oldest NVIDIA GPU Tinker9 has been tested on is GeForce GTX 675MX (compute capability 3.0).
 
 **Operating Systems and Compilers**
@@ -29,12 +28,12 @@ CUDA 11.0 and NVHPC 20.9. Please proceed to
 for more details.
 
 The majority of the functionalities are also implemented in CUDA.
-To compile this subset (PureCuda) of the code, NVIDIA HPC SDK is not mandatory.
+To compile this subset (PureCuda) of the GPU kernels, NVIDIA HPC SDK is not mandatory.
 Please refer to *Build Tinker9 with CMake* for the flags to compile
 the *PureCuda* GPU kernels.
 It is even possible to compile and run the *PureCuda* version on macOS
 (El Capitan 10.13 or earlier), if suitable drivers and CUDA toolkits are installed.
-If the calculation selects one of the missing functionalities only implemented
+If the calculation selects one of the missing functionalities that is only implemented
 in OpenACC, the program will throw a runtime error.
 
 **Using NVIDIA HPC SDK on Clusters**

include/tinker9.h

@@ -31,7 +31,7 @@
 "  ###                                                                      ### ""\n" \
 " ###            Tinker9  --  Software Tools for Molecular Design            ###""\n" \
 " ##                                                                          ##""\n" \
-" ##                       Version 1.0.0-rc  April 2022                       ##""\n" \
+" ##                         Version 1.0.0   May 2022                         ##""\n" \
 " ##                                                                          ##""\n" \
 " ##                 Copyright (c)  Zhi Wang & the Ponder Lab                 ##""\n" \
 " ###                           All Rights Reserved                          ###""\n" \