simple-dftd3-main.zip （75个子文件） 
simple-dftd3-main .github workflows 
docs.yml 677B build.yml 8KB dco.yml 26B COPYING 34KB src dftd3.f90 2KB dftd3 ncoord.f90 6KB param.f90 18KB version.f90 2KB reference.f90 1.72MB data.f90 980B output.f90 17KB disp.f90 3KB api.f90 20KB damping atm.f90 10KB mzero.f90 8KB zero.f90 8KB rational.f90 8KB meson.build 790B cutoff.f90 3KB model.f90 9KB damping.f90 2KB data r4r2.f90 4KB vdwrad.f90 53KB meson.build 777B covrad.f90 4KB utils.f90 2KB blas.F90 17KB meson.build 965B meson.build 762B
meson_options.txt 1KB subprojects mstore.wrap 91B .gitignore 4B mctc-lib.wrap 95B COPYING.LESSER 7KB config install-mod.py 1KB meson.build 2KB test unit test_param.f90 18KB test_dftd3.f90 25KB test_ncoord.f90 11KB main.f90 3KB test_model.f90 12KB test_periodic.f90 12KB meson.build 1KB api api-test.c 4KB meson.build 846B meson.build 761B fpm.toml 567B README.md 4KB docs.md 8KB man s-dftd3.1.adoc 2KB .gitignore 299B app example.xyz 2KB main.f90 18KB meson.build 1KB meson.build 3KB python README.rst 5KB COPYING 34KB ffibuilder.py 1KB meson_options.txt 825B COPYING.LESSER 7KB setup.cfg 1KB setup.py 841B dftd3 test_interface.py 11KB libdftd3.py 5KB __init__.py 834B qcschema.py 8KB test_qcschema.py 16KB test_libdftd3.py 972B interface.py 9KB meson.build 2KB .gitignore 2KB meson.build 1KB build.py 3KB include s-dftd3.h 7KB dftd3.h 766B资源评论
