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Fixed various bugs found in testing, added support for BOMD, moved regressions...
Fixed various bugs found in testing, added support for BOMD, moved regressions tests to different folder.
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- README.md 4 additions, 3 deletionsREADME.md
- parser/parser-cpmd/cpmdparser/parser.py 3 additions, 3 deletionsparser/parser-cpmd/cpmdparser/parser.py
- parser/parser-cpmd/cpmdparser/regtest/README.md 0 additions, 0 deletionsparser/parser-cpmd/cpmdparser/regtest/README.md
- parser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/H_CVB_BLYP.psp 0 additions, 0 deletions...er/parser-cpmd/cpmdparser/regtest/cpmd_4.1/H_CVB_BLYP.psp
- parser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/H_MT_LDA.psp 0 additions, 0 deletionsparser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/H_MT_LDA.psp
- parser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/O_MT_BLYP.psp 0 additions, 0 deletionsparser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/O_MT_BLYP.psp
- parser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/bfgs/GEOMETRY 0 additions, 0 deletions...er-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/bfgs/GEOMETRY
- parser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/bfgs/GEOMETRY.xyz 0 additions, 0 deletions...pmd/cpmdparser/regtest/cpmd_4.1/geo_opt/bfgs/GEOMETRY.xyz
- parser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/bfgs/GEO_OPT.xyz 0 additions, 0 deletions...cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/bfgs/GEO_OPT.xyz
- parser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/bfgs/HESSIAN 0 additions, 0 deletions...ser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/bfgs/HESSIAN
- parser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/bfgs/LATEST 0 additions, 0 deletions...rser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/bfgs/LATEST
- parser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/bfgs/RESTART.1 0 additions, 0 deletions...r-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/bfgs/RESTART.1
- parser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/bfgs/input.inp 0 additions, 0 deletions...r-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/bfgs/input.inp
- parser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/bfgs/output.out 0 additions, 0 deletions...-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/bfgs/output.out
- parser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/bfgs/run.sh 0 additions, 0 deletions...rser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/bfgs/run.sh
- parser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/cg/DENSITY 0 additions, 0 deletions...arser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/cg/DENSITY
- parser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/cg/ELF 0 additions, 0 deletions...er/parser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/cg/ELF
- parser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/cg/ELPOT 0 additions, 0 deletions.../parser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/cg/ELPOT
- parser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/cg/GEOMETRY 0 additions, 0 deletions...rser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/cg/GEOMETRY
- parser/parser-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/cg/GEOMETRY.xyz 0 additions, 0 deletions...-cpmd/cpmdparser/regtest/cpmd_4.1/geo_opt/cg/GEOMETRY.xyz
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