MolSSI-MDI/MDI_Library issues and pull requests

#176 - Switch to mdi conda-forge package in CI

Pull Request - State: closed - Opened by taylor-a-barnes 8 days ago - 1 comment

#175 - Update handling of Windows DLLs in Python wrapper

Pull Request - State: closed - Opened by taylor-a-barnes 14 days ago - 1 comment

#174 - Improve Python Package Installation

Pull Request - State: closed - Opened by taylor-a-barnes 15 days ago - 1 comment

#173 - Update DLL install location

Pull Request - State: closed - Opened by taylor-a-barnes 28 days ago - 1 comment

#172 - Update library install location

Pull Request - State: closed - Opened by taylor-a-barnes 29 days ago - 1 comment

#171 - Set library links to private

Pull Request - State: closed - Opened by taylor-a-barnes 29 days ago - 1 comment

#170 - Improve CMake Options

Pull Request - State: closed - Opened by taylor-a-barnes about 1 month ago - 1 comment

#169 - Add Valgrind Suppressions

Pull Request - State: closed - Opened by taylor-a-barnes about 1 month ago - 1 comment

#168 - Update CI

Pull Request - State: closed - Opened by taylor-a-barnes about 1 month ago - 1 comment

#167 - Conda-forge distribution for Fortran bindings

Issue - State: open - Opened by awvwgk about 2 months ago - 3 comments

#166 - Update Plugin System to use MDI_Plugin_launch

Pull Request - State: closed - Opened by taylor-a-barnes 4 months ago - 1 comment

#165 - Add information about MDI_OPTIONS to MDI engine tutorial

Pull Request - State: closed - Opened by taylor-a-barnes 4 months ago - 1 comment

#164 - Poll

Pull Request - State: closed - Opened by taylor-a-barnes 8 months ago - 1 comment

#163 - Remove Fortran as a requirement for pip installation

Pull Request - State: closed - Opened by taylor-a-barnes 10 months ago - 1 comment

#162 - Fix bug when compiling without plugin support

Pull Request - State: closed - Opened by taylor-a-barnes 11 months ago - 1 comment

#161 - Fix out-of-scope variable in mdi.c

Pull Request - State: closed - Opened by taylor-a-barnes about 1 year ago - 1 comment

#160 - Remove Fortran library copy step

Pull Request - State: closed - Opened by taylor-a-barnes about 1 year ago - 1 comment

#159 - Updates for MDI library based on static code analysis with Coverity Scan

Pull Request - State: closed - Opened by akohlmey about 1 year ago - 2 comments

#158 - Passing pointer to out of scope local variable

Issue - State: closed - Opened by akohlmey about 1 year ago - 2 comments

#157 - Remove distutils from CMakeLists.txt

Pull Request - State: closed - Opened by taylor-a-barnes over 1 year ago - 1 comment

#156 - Remove Distutils

Pull Request - State: closed - Opened by taylor-a-barnes over 1 year ago - 1 comment

#155 - Switch to pyproject.toml

Pull Request - State: closed - Opened by taylor-a-barnes over 1 year ago - 1 comment

#154 - Add conda test

Pull Request - State: closed - Opened by taylor-a-barnes over 1 year ago - 1 comment

#153 - Add support for different Fortran module capitalization conventions

Pull Request - State: closed - Opened by taylor-a-barnes over 1 year ago - 1 comment

#152 - Improve function pointer handling in Fortran wrapper

Pull Request - State: closed - Opened by taylor-a-barnes over 1 year ago - 1 comment

#151 - Improve passing of cfunptr into Fortran

Pull Request - State: closed - Opened by taylor-a-barnes over 1 year ago - 1 comment

#150 - Update User Tutorial

Pull Request - State: closed - Opened by taylor-a-barnes over 1 year ago - 1 comment

#149 - Fix bugs on Cray compiler

Pull Request - State: closed - Opened by taylor-a-barnes almost 2 years ago - 1 comment

#148 - Update CI to Ubuntu 22.04

Pull Request - State: closed - Opened by taylor-a-barnes almost 2 years ago - 2 comments

#147 - Update documentation

Pull Request - State: closed - Opened by taylor-a-barnes about 2 years ago - 1 comment

#146 - Add new test for Python plugins

Pull Request - State: closed - Opened by taylor-a-barnes about 2 years ago - 1 comment

#145 - Add debug compile flag

Pull Request - State: closed - Opened by taylor-a-barnes about 2 years ago - 1 comment

#144 - Add element struct

Pull Request - State: closed - Opened by taylor-a-barnes about 2 years ago - 1 comment

#143 - Add CodeQL workflow for GitHub code scanning

Pull Request - State: open - Opened by lgtm-com[bot] about 2 years ago - 1 comment

#142 - Add MDI_Open_plugin support to Python wrapper

Pull Request - State: closed - Opened by taylor-a-barnes over 2 years ago - 6 comments

#141 - Add driver plugin functionality to Fortran wrapper

Pull Request - State: closed - Opened by taylor-a-barnes over 2 years ago - 1 comment

#140 - Fix valgrind error

Pull Request - State: closed - Opened by taylor-a-barnes over 2 years ago - 1 comment

#139 - Add mdi_debug function

Pull Request - State: closed - Opened by taylor-a-barnes over 2 years ago - 5 comments

#138 - Fix pointers to plugin options

Pull Request - State: closed - Opened by taylor-a-barnes over 2 years ago - 1 comment

#137 - Fortran

Pull Request - State: closed - Opened by taylor-a-barnes over 2 years ago - 2 comments

#136 - Fix bug in Fortran wrapper

Pull Request - State: closed - Opened by taylor-a-barnes over 2 years ago - 1 comment

#135 - Correct bugs in setting plugin current_code

Pull Request - State: closed - Opened by taylor-a-barnes over 2 years ago - 1 comment

#134 - Have plugins set current_code locally

Pull Request - State: closed - Opened by taylor-a-barnes over 2 years ago - 1 comment

#133 - Create dedicated shared memory structure for plugins

Pull Request - State: closed - Opened by taylor-a-barnes over 2 years ago - 1 comment

#132 - Create dedicated shared memory structure for plugins

Pull Request - State: closed - Opened by taylor-a-barnes over 2 years ago - 1 comment

#131 - Add MDI_Send to plugin tests

Pull Request - State: closed - Opened by taylor-a-barnes over 2 years ago - 1 comment

#130 - Fix memory bug in Fortran wrapper

Pull Request - State: closed - Opened by taylor-a-barnes over 2 years ago - 1 comment

#129 - Fix bug in plugin on_send_command func

Pull Request - State: closed - Opened by taylor-a-barnes over 2 years ago - 1 comment

#128 - Fix bug in Windows test

Pull Request - State: closed - Opened by taylor-a-barnes over 2 years ago - 1 comment

#127 - Add CI workflow dispatch event

Pull Request - State: closed - Opened by taylor-a-barnes over 2 years ago - 1 comment

#126 - add function to convert element name to atomic number

Pull Request - State: closed - Opened by janash over 2 years ago - 2 comments

#125 - Do cross-version control of data length for <NAME command

Issue - State: open - Opened by taylor-a-barnes over 2 years ago

#124 - Add MDI_Plugin_open function

Pull Request - State: closed - Opened by taylor-a-barnes over 2 years ago - 1 comment

#123 - Increase MDI_COMMAND_LENGTH

Pull Request - State: closed - Opened by taylor-a-barnes over 2 years ago - 1 comment

#122 - Fix bug in MDI_Get_communicator

Pull Request - State: closed - Opened by taylor-a-barnes almost 3 years ago - 1 comment

#121 - Add MDI_Get_communicator() and MDI_Get_method()

Pull Request - State: closed - Opened by taylor-a-barnes almost 3 years ago - 1 comment

#120 - Fix bug in plugin queries

Pull Request - State: closed - Opened by taylor-a-barnes almost 3 years ago - 1 comment

#119 - Change Python wrapper to use RTLD_GLOBAL

Pull Request - State: closed - Opened by taylor-a-barnes almost 3 years ago - 1 comment

#118 - Fix bug for plugins sending commands

Pull Request - State: closed - Opened by taylor-a-barnes about 3 years ago - 1 comment

#117 - adds GA and GTM tracking containers to the header.html template

Pull Request - State: closed - Opened by SinaMostafanejad about 3 years ago - 1 comment