Shern Tee 59bdb136dc added qtotal keyword

2023-05-31 14:50:55 +00:00

..

.gitignore

Conjugate gradient

2022-09-02 14:06:04 +00:00

algo_test.sh

Conjugate gradient

2022-09-02 14:06:04 +00:00

data.graph-il

Automatic detection for electrode etypes

2022-08-29 13:11:30 +02:00

in.conp

Refactor amatrix

2022-10-18 07:27:05 +00:00

in.conq

enable symm for conq and thermo

2022-11-27 23:46:00 +00:00

in.conq2

Update documentation

2022-10-12 12:00:46 +00:00

in.etypes

Update documentation

2022-10-12 12:00:46 +00:00

in.ffield

Update documentation

2022-10-12 12:00:46 +00:00

in.nonneut

added qtotal keyword

2023-05-31 14:50:55 +00:00

in.nonneut2

added qtotal keyword

2023-05-31 14:50:55 +00:00

in.ramp

Update documentation

2022-10-12 12:00:46 +00:00

in.thermo

enable symm for conq and thermo

2022-11-27 23:46:00 +00:00

log.1Dec2022.graph-il-conp.g++.1

replace logs for graph-il

2022-12-01 11:17:49 +10:00

log.1Dec2022.graph-il-conp.g++.4

replace logs for graph-il

2022-12-01 11:17:49 +10:00

log.1Dec2022.graph-il-conq2.g++.1

replace logs for graph-il

2022-12-01 11:17:49 +10:00

log.1Dec2022.graph-il-conq2.g++.4

replace logs for graph-il

2022-12-01 11:17:49 +10:00

log.1Dec2022.graph-il-conq.g++.1

replace logs for graph-il

2022-12-01 11:17:49 +10:00

log.1Dec2022.graph-il-conq.g++.4

replace logs for graph-il

2022-12-01 11:17:49 +10:00

log.1Dec2022.graph-il-etypes.g++.1

replace logs for graph-il

2022-12-01 11:17:49 +10:00

log.1Dec2022.graph-il-etypes.g++.4

replace logs for graph-il

2022-12-01 11:17:49 +10:00

log.1Dec2022.graph-il-ffield.g++.1

replace logs for graph-il

2022-12-01 11:17:49 +10:00

log.1Dec2022.graph-il-ffield.g++.4

replace logs for graph-il

2022-12-01 11:17:49 +10:00

log.1Dec2022.graph-il-ramp.g++.1

replace logs for graph-il

2022-12-01 11:17:49 +10:00

log.1Dec2022.graph-il-ramp.g++.4

replace logs for graph-il

2022-12-01 11:17:49 +10:00

log.1Dec2022.graph-il-thermo.g++.1

replace logs for graph-il

2022-12-01 11:17:49 +10:00

log.1Dec2022.graph-il-thermo.g++.4

replace logs for graph-il

2022-12-01 11:17:49 +10:00

settings.mod

Refactor amatrix

2022-10-18 07:27:05 +00:00