Dominik Demuth dd1c26e285 more work on loggaussian

2023-04-23 19:55:53 +02:00

bin

crude updater added; write_state uses plain text, not pickle; disallow invalid characters; T246

2023-01-05 15:27:33 +01:00

doc

BUGFIX: VFT;

2022-10-20 17:23:15 +02:00

src

more work on loggaussian

2023-04-23 19:55:53 +02:00

tools

AppImage path was incorrect in upload script.

2023-02-07 07:57:56 +01:00

.gitignore

bug-fixer (#40)

2023-04-07 13:45:28 +00:00

AppImageBuilder.yml

more work on loggaussian

2023-04-23 19:55:53 +02:00

LICENSE

Add 'LICE'

2023-02-06 20:19:41 +01:00

Makefile

lower epsabs for integration of energy barrier spec dens

2023-04-19 18:24:29 +02:00

pyproject.toml

interactive integration; new user-defined fit functions reloads model list; fixed requirements.txt

2022-11-07 20:44:18 +01:00

requirements.txt

crude updater added; write_state uses plain text, not pickle; disallow invalid characters; T246

2023-01-05 15:27:33 +01:00

setup.py

changed FFHS integration; wrapping phase values; small stuff;

2022-09-27 17:35:05 +02:00

Description

NMR analysis software with loads of features. latest AppImage and Homepage

16 MiB

Languages

Python 99.6%

C 0.2%

Shell 0.1%