Ecosyste.ms: Issues

An open API service for providing issue and pull request metadata for open source projects.

GitHub / lanl/LATTE issues and pull requests

#127 - Lattepy

Pull Request - State: closed - Opened by peterli3819 21 days ago

#126 - Change cmake build when linking with PROGRESS

Pull Request - State: closed - Opened by jeanlucf22 almost 2 years ago

#125 - Revert "Reorganize cmake build"

Pull Request - State: closed - Opened by jeanlucf22 almost 2 years ago

#124 - Added some changes to the cmake file

Pull Request - State: closed - Opened by cnegre almost 2 years ago - 7 comments

#123 - Reorganize cmake build

Pull Request - State: closed - Opened by jeanlucf22 almost 2 years ago - 5 comments

#122 - Update latte_mdi.F90 to support latest MDI version

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

#121 - Update to support latest MDI version

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

#120 - Resolve valgrind errors in MDI interface

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

#119 - Fix memory bugs in MDI interface

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

#118 - Fix GPU build with MATRIX library

Pull Request - State: open - Opened by ghbrown almost 3 years ago - 1 comment

#117 - Update PROGRESS subroutine call

Pull Request - State: open - Opened by ghbrown almost 3 years ago - 1 comment

#116 - Update PROGRESS subroutine call

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

#115 - Error: More actual than formal arguments in procedure call at (1)

Issue - State: open - Opened by samfux84 almost 4 years ago - 10 comments

#114 - New release

Issue - State: open - Opened by junghans almost 5 years ago - 1 comment

#113 - cmake: use progress exported target

Pull Request - State: closed - Opened by junghans almost 5 years ago - 3 comments

#112 - cmake: added exported target

Pull Request - State: closed - Opened by junghans almost 5 years ago - 3 comments

#111 - Changed awk exp. in test

Pull Request - State: closed - Opened by cnegre about 5 years ago - 1 comment

#110 - fix the .travis.yml script

Pull Request - State: closed - Opened by ares201005 over 5 years ago - 2 comments

#109 - fix the bugs that result in segmentation fault

Pull Request - State: closed - Opened by ares201005 over 5 years ago

#108 - Generalized freeze subroutine

Pull Request - State: open - Opened by cnegre over 5 years ago - 3 comments

#107 - Compiling with GPU support

Issue - State: open - Opened by ipcamit over 5 years ago - 1 comment

#106 - Ortho test

Pull Request - State: open - Opened by cnegre almost 6 years ago - 1 comment

#105 - Fixed energy expression for coulomb energy

Pull Request - State: closed - Opened by AndersNiklasson almost 6 years ago - 2 comments

#104 - Merge mjc gpu w master

Pull Request - State: closed - Opened by cnegre almost 6 years ago - 1 comment

#103 - makefile for summit

Pull Request - State: closed - Opened by cnegre almost 6 years ago - 2 comments

#102 - Running latte via lammps with MDCONTROL variables

Issue - State: open - Opened by cnegre about 6 years ago

#101 - The user can choose the name of the input file

Pull Request - State: closed - Opened by nfaguirrec about 6 years ago - 2 comments

#100 - small fixes

Pull Request - State: closed - Opened by cnegre about 6 years ago - 2 comments

#99 - fixes

Pull Request - State: closed - Opened by cnegre about 6 years ago - 2 comments

#98 - removed file

Pull Request - State: closed - Opened by cnegre about 6 years ago

#97 - Please add information on GPU support

Issue - State: open - Opened by xuetaoshi about 6 years ago

#96 - cpp ibm

Pull Request - State: closed - Opened by cnegre about 6 years ago - 5 comments

#95 - tool to convert skf to LATTE's table files

Pull Request - State: closed - Opened by chliu1990 about 6 years ago - 1 comment

#93 - Remove DBCSR_OPT option in cmake

Pull Request - State: open - Opened by junghans over 6 years ago - 2 comments

#91 - Please add a comprehensive package description to README

Issue - State: open - Opened by yurivict over 6 years ago

#90 - Makefile doesn't install anything

Issue - State: closed - Opened by yurivict over 6 years ago - 3 comments

#89 - Pulay over QLIST

Pull Request - State: closed - Opened by cnegre over 6 years ago

#88 - Stop if scf hits MAXSCF

Pull Request - State: closed - Opened by cnegre over 6 years ago - 1 comment

#87 - redirecting to null if VERBOSE <= 0

Pull Request - State: closed - Opened by cnegre over 6 years ago - 1 comment

#86 - extended xyz for when PROGRESS=ON

Pull Request - State: closed - Opened by cnegre over 6 years ago

#85 - Site

Pull Request - State: closed - Opened by cnegre over 6 years ago

#84 - Site

Pull Request - State: closed - Opened by cnegre over 6 years ago - 1 comment

#83 - Fixed wrtfreq bug for readmdcontroller

Pull Request - State: closed - Opened by cnegre over 6 years ago - 1 comment

#82 - LATTE-LAMMPS restart and Langevin

Issue - State: open - Opened by cnegre over 6 years ago

#81 - WRTFREQ fix for readmdcontroller.f90

Issue - State: closed - Opened by cnegre over 6 years ago

#80 - bug-fix

Pull Request - State: closed - Opened by rperriot over 6 years ago - 1 comment

#79 - Bug solve

Pull Request - State: closed - Opened by rperriot over 6 years ago

#78 - bondints.ortho

Issue - State: open - Opened by rezabma over 6 years ago - 1 comment

#77 - raise an error if a pair of ppots not defined

Pull Request - State: open - Opened by chliu1990 over 6 years ago - 1 comment

#75 - Performance test

Pull Request - State: closed - Opened by nfaguirrec over 6 years ago - 3 comments

#74 - New output format for "make test"

Pull Request - State: closed - Opened by nfaguirrec over 6 years ago - 1 comment

#73 - Add cmake compilations intructions

Issue - State: closed - Opened by cnegre over 6 years ago

#72 - Tabularints

Pull Request - State: closed - Opened by cnegre over 6 years ago - 1 comment

#71 - .travis.yml: fix lammps build with cmake

Pull Request - State: closed - Opened by junghans over 6 years ago - 2 comments

#70 - Build with shared libs

Pull Request - State: open - Opened by junghans over 6 years ago - 3 comments

#69 - Performance testing

Issue - State: closed - Opened by cnegre over 6 years ago

#68 - fix cmake build again

Pull Request - State: closed - Opened by junghans over 6 years ago - 1 comment

#67 - Added back lammps test

Pull Request - State: closed - Opened by cnegre over 6 years ago - 1 comment

#66 - Changed ABI version

Pull Request - State: closed - Opened by cnegre over 6 years ago - 1 comment

#65 - Newsysteminlib

Pull Request - State: closed - Opened by cnegre over 6 years ago - 1 comment

#64 - Newsysteminlib

Pull Request - State: closed - Opened by cnegre over 6 years ago - 1 comment

#63 - New test for fittingoutput.dat file

Pull Request - State: closed - Opened by nfaguirrec over 6 years ago - 1 comment

#62 - Fixes

Pull Request - State: closed - Opened by cnegre over 6 years ago - 1 comment

#61 - New directory including JCTC2017 parameters

Pull Request - State: closed - Opened by nfaguirrec over 6 years ago - 1 comment

#60 - Revert ".travis.yml: use lammps pr to fix build"

Pull Request - State: closed - Opened by junghans over 6 years ago - 4 comments

#59 - .travis.yml: use lammps pr to fix build

Pull Request - State: closed - Opened by junghans over 6 years ago - 1 comment

#58 - Added the possibility of doing multiple single point cals

Pull Request - State: closed - Opened by cnegre over 6 years ago - 1 comment

#57 - Spin-polarized calculation with progress/bml

Issue - State: open - Opened by chliu1990 over 6 years ago - 1 comment

#56 - Changed timeratio according to improved coulombics

Pull Request - State: closed - Opened by cnegre over 6 years ago - 1 comment

#55 - fix cmake build again

Pull Request - State: closed - Opened by junghans over 6 years ago - 1 comment

#54 - New test system with d electrons

Pull Request - State: closed - Opened by nfaguirrec over 6 years ago - 1 comment

#53 - Coulk

Pull Request - State: closed - Opened by cnegre over 6 years ago - 1 comment

#52 - Coulk

Pull Request - State: closed - Opened by cnegre over 6 years ago - 1 comment

#51 - Add a test system with d electrons

Issue - State: closed - Opened by cnegre over 6 years ago

#50 - Cleanup

Pull Request - State: closed - Opened by cnegre over 6 years ago - 1 comment

#49 - Xcontrols

Pull Request - State: closed - Opened by cnegre over 6 years ago - 3 comments

#48 - Pulay mixer

Issue - State: closed - Opened by cnegre over 6 years ago

#47 - Latte-lammps

Issue - State: closed - Opened by cnegre over 6 years ago

#46 - Compiling LATTE-LAMMPS as dynamic shared library

Issue - State: closed - Opened by tomswinburne over 6 years ago - 4 comments

#45 - Deleted unused module

Pull Request - State: closed - Opened by cnegre over 6 years ago - 1 comment

#44 - Added atomic position constraints

Pull Request - State: closed - Opened by cnegre over 6 years ago - 1 comment

#43 - Traj

Pull Request - State: closed - Opened by cnegre over 6 years ago - 1 comment

#42 - Passing V from hosting code

Pull Request - State: closed - Opened by cnegre almost 7 years ago - 1 comment

#41 - Added timing for Dens construction

Pull Request - State: closed - Opened by cnegre almost 7 years ago - 1 comment

#40 - Pulay computed with progress when PROGRESS= ON

Pull Request - State: closed - Opened by cnegre almost 7 years ago - 1 comment

#39 - Test

Pull Request - State: closed - Opened by cnegre almost 7 years ago - 1 comment

#38 - Fixed restart for latte_lib

Pull Request - State: closed - Opened by cnegre almost 7 years ago - 1 comment

#37 - Cov

Pull Request - State: closed - Opened by cnegre almost 7 years ago

#36 - Cleanup based in LATTE_dev

Pull Request - State: closed - Opened by cnegre almost 7 years ago - 1 comment

#35 - Cleanup makefiles

Pull Request - State: closed - Opened by cnegre almost 7 years ago - 1 comment

#34 - Lammps

Pull Request - State: closed - Opened by cnegre almost 7 years ago - 1 comment

#33 - Bug resize box

Pull Request - State: closed - Opened by cnegre almost 7 years ago - 1 comment

#32 - Added neblist init when box changes

Pull Request - State: closed - Opened by cnegre almost 7 years ago - 1 comment

#31 - error fix

Pull Request - State: closed - Opened by rperriot almost 7 years ago - 1 comment

#30 - fix cmake build

Pull Request - State: closed - Opened by junghans almost 7 years ago - 1 comment

#29 - Tag a relase

Issue - State: closed - Opened by junghans almost 7 years ago - 6 comments

#27 - Bug fixed. Infinite loop while filling up orbitals

Pull Request - State: closed - Opened by nfaguirrec almost 7 years ago - 2 comments